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823200-10-8 | 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, hexyl ester, (2E)-
CAS No: 823200-10-8 Catalog No: AG004ZBG MDL No:
Product Description
Catalog Number:
AG004ZBG
Chemical Name:
2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, hexyl ester, (2E)-
CAS Number:
823200-10-8
Molecular Formula:
C16H20O4
Molecular Weight:
276.3276
IUPAC Name:
hexyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate
InChI:
InChI=1S/C16H20O4/c1-2-3-4-5-10-18-16(17)9-7-13-6-8-14-15(11-13)20-12-19-14/h6-9,11H,2-5,10,12H2,1H3
InChI Key:
DWVLVERFNRNLGK-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)/C=C/c1ccc2c(c1)OCO2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.332g/mol
Monoisotopic Mass:
276.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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