Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Methyl 3-(1,3-benzodioxol-5-yl)-2-oxiranecarboxylate

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

Methyl 3-(1,3-benzodioxol-5-yl)-2-oxiranecarboxylate

EINECS N/A
CAS No. 39829-16-8 Density 1.413 g/cm3
PSA 57.29000 LogP 1.02820
Solubility N/A Melting Point 65℃
Formula C11H10O5 Boiling Point 313.358 °C at 760 mmHg
Molecular Weight 222.197 Flash Point 138.009 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 39829-16-8 (Methyl 3-(1,3-benzodioxol-5-yl)oxirane-2-carboxylate) Hazard Symbols N/A
Synonyms

Glycidicacid, 3-(3,4-methylenedioxyphenyl)-, methyl ester (6CI);Oxiranecarboxylicacid, 3-(1,3-benzodioxol-5-yl)-, methyl ester (9CI);Methyl b,3,4-methylenedioxyphenylglycidate;NSC 107437;

 

Methyl 3-(1,3-benzodioxol-5-yl)-2-oxiranecarboxylate Specification

Methyl 3-(1,3-benzodioxol-5-yl)-2-oxiranecarboxylate, with the CAS registry number 39829-16-8, is also named as 2-Oxiranecarboxylicacid, 3-(1,3-benzodioxol-5-yl)-, methyl ester. This chemical's molecular formula is C11H10O5 and molecular weight is 222.19. What's more, its systematic name is Methyl 3-(1,3-benzodioxol-5-yl)-2-oxiranecarboxylate.

Physical properties of Methyl 3-(1,3-benzodioxol-5-yl)-2-oxiranecarboxylate are: (1)ACD/LogP: 1.267; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.41; (6)ACD/BCF (pH 7.4): 5.41; (7)ACD/KOC (pH 5.5): 116.55; (8)ACD/KOC (pH 7.4): 116.55; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.29 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 52.385 cm3; (15)Molar Volume: 157.257 cm3; (16)Polarizability: 20.767×10-24cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.413 g/cm3; (19)Flash Point: 138.009 °C; (20)Enthalpy of Vaporization: 55.443 kJ/mol; (21)Boiling Point: 313.358 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C3OC3c2cc1OCOc1cc2
(2)Std. InChI: InChI=1S/C11H10O5/c1-13-11(12)10-9(16-10)6-2-3-7-8(4-6)15-5-14-7/h2-4,9-10H,5H2,1H3
(3)Std. InChIKey: NWSJMUCMPCFBOB-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 39829-16-8