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10221-50-8 | 2-Heptenoic acid, 7-hydroxy-, methyl ester, (2E)-
CAS No: 10221-50-8 Catalog No: AG0006YC MDL No:
Product Description
Catalog Number:
AG0006YC
Chemical Name:
2-Heptenoic acid, 7-hydroxy-, methyl ester, (2E)-
CAS Number:
10221-50-8
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
methyl 7-hydroxyhept-2-enoate
InChI:
InChI=1S/C8H14O3/c1-11-8(10)6-4-2-3-5-7-9/h4,6,9H,2-3,5,7H2,1H3
InChI Key:
HTRKKPSHFJVHIR-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/CCCCO
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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