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82302-70-3 | 4-Octenoic acid, 8-oxo-, methyl ester, (Z)-
CAS No: 82302-70-3 Catalog No: AG004ZY4 MDL No:
Product Description
Catalog Number:
AG004ZY4
Chemical Name:
4-Octenoic acid, 8-oxo-, methyl ester, (Z)-
CAS Number:
82302-70-3
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
methyl 8-oxooct-4-enoate
InChI:
InChI=1S/C9H14O3/c1-12-9(11)7-5-3-2-4-6-8-10/h2-3,8H,4-7H2,1H3
InChI Key:
PLSOKLIZFKARMK-UHFFFAOYSA-N
SMILES:
O=CCC/C=C\CCC(=O)OC
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:
0.7
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