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113704-92-0 | 2-Octenoic acid, 8-oxo-, methyl ester, (2Z)-
CAS No: 113704-92-0 Catalog No: AG0009EG MDL No:
Product Description
Catalog Number:
AG0009EG
Chemical Name:
2-Octenoic acid, 8-oxo-, methyl ester, (2Z)-
CAS Number:
113704-92-0
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
methyl 8-oxooct-2-enoate
InChI:
InChI=1S/C9H14O3/c1-12-9(11)7-5-3-2-4-6-8-10/h5,7-8H,2-4,6H2,1H3
InChI Key:
LXCVPBJBGRZBNO-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C\CCCCC=O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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