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10095-14-4 | 2-Propenoic acid, 6-hydroxyhexyl ester
CAS No: 10095-14-4 Catalog No: AG0003AG MDL No:MFCD27964776
Product Description
Catalog Number:
AG0003AG
Chemical Name:
2-Propenoic acid, 6-hydroxyhexyl ester
CAS Number:
10095-14-4
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD27964776
IUPAC Name:
6-hydroxyhexyl prop-2-enoate
InChI:
InChI=1S/C9H16O3/c1-2-9(11)12-8-6-4-3-5-7-10/h2,10H,1,3-8H2
InChI Key:
OCIFJWVZZUDMRL-UHFFFAOYSA-N
SMILES:
OCCCCCCOC(=O)C=C
EC Number:
233-227-0
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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