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245349-46-6

Basic Information
CAS No.: 245349-46-6
Name: Benzoic acid,4-[3-[(1-oxo-2-propen-1-yl)oxy]propoxy]-
Article Data: 7
Cas Database
Molecular Structure:
Molecular Structure of 245349-46-6 (Benzoic acid,4-[3-[(1-oxo-2-propen-1-yl)oxy]propoxy]-)
Formula: C13H14O5
Molecular Weight: 250.251
Synonyms: Benzoicacid, 4-[3-[(1-oxo-2-propenyl)oxy]propoxy]- (9CI);4-(3-Acryloyloxypropyloxy)benzoic acid;
EINECS: N/A
Density: 1.208 g/cm3
Melting Point: N/A
Boiling Point: 428.1 °C at 760 mmHg
Flash Point: 162.9 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 72.83000
LogP: 1.88290
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    Henan Coreychem co., LTD focus on high complex new type intermediates and fine chemical custom synthesis,scale-up production and rare chemicals trade.Product category including Intermediates&API,Catalyst and Electronic Chemicals.Covering 811 square m

    Career Henan Chemical Co, based on the original Zhengzhou Cote Chemical Research Institute, be brave in absorbing highly educated talents & overseas returnees; actively responded t

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  • 4-[3-(Acryloyloxy)propyloxy]benzoic acid

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    245349-46-6

    4-[3-(Acryloyloxy)propyloxy]benzoic acid

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    With about ten years experiences in the field of pharmaceutical chemicals, Yierdechem has established solid business cooperation relationships with many large companys worldwide.As a leading supplier of API and pharmaceutical intermediates, holds its

    yierdechem is a young and potential team, with about ten years experiences in the field of pharmaceutical intermediate and fine chemicals, yierdechem has established solid business

  • Hangzhou Yierdechem Co. Ltd

    China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:+86-571-86904883

    Address:903,zhijiang Minglou, Xiasha EDA, Hangzhou City 310018,P.R.China

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Specification

The Benzoic acid,4-[3-[(1-oxo-2-propen-1-yl)oxy]propoxy]-, with the CAS registry number 245349-46-6, is also known as Benzoicacid, 4-[3-[(1-oxo-2-propenyl)oxy]propoxy]- (9CI). It belongs to the product category of API Intermediates. This chemical's molecular formula is C13H14O5 and molecular weight is 250.2473. What's more, its systematic name is 1-Methyl-5H-pyrido[4,3-b]indol-3-amine.

Physical properties about Benzoic acid,4-[3-[(1-oxo-2-propen-1-yl)oxy]propoxy]-: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 0.12; (5)ACD/BCF (pH 5.5): 7.2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 70; (8)ACD/KOC (pH 7.4): 1.56; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 72.83 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 64.52 cm3; (15)Molar Volume: 207 cm3; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.208 g/cm3; (18)Flash Point: 162.9 °C; (19)Enthalpy of Vaporization: 72.02 kJ/mol; (20)Boiling Point: 428.1 °C at 760 mmHg; (21)Vapour Pressure: 4.33E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1ccc(OCCCOC(=O)C=C)cc1
(2) InChI: InChI=1/C13H14O5/c1-2-12(14)18-9-3-8-17-11-6-4-10(5-7-11)13(15)16/h2,4-7H,1,3,8-9H2,(H,15,16)
(3) InChIKey: AHBWYWGJQFTBRO-UHFFFAOYAG