CAS No.245349-46-6,4-(3-ACRYLOYLOXY-N-PROP-1-YLOXY)BENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	245349-46-6
Name:	4-(3-ACRYLOYLOXY-N-PROP-1-YLOXY)BENZOIC ACID
Article Data:	7

Formula:	C₁₃H₁₄O₅
Molecular Weight:	250.251
Synonyms:	Benzoicacid, 4-[3-[(1-oxo-2-propenyl)oxy]propoxy]- (9CI);4-(3-Acryloyloxypropyloxy)benzoic acid;
Density:	1.208 g/cm³
Boiling Point:	428.1 °C at 760 mmHg
Flash Point:	162.9 °C
PSA:	72.83000
LogP:	1.88290

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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