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82302-84-9 | 4-Hexenoic acid, 6-(5-oxo-1-cyclopenten-1-yl)-, methyl ester, (Z)-
CAS No: 82302-84-9 Catalog No: AG004ZKR MDL No:
Product Description
Catalog Number:
AG004ZKR
Chemical Name:
4-Hexenoic acid, 6-(5-oxo-1-cyclopenten-1-yl)-, methyl ester, (Z)-
CAS Number:
82302-84-9
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
methyl 6-(5-oxocyclopenten-1-yl)hex-4-enoate
InChI:
InChI=1S/C12H16O3/c1-15-12(14)9-4-2-3-6-10-7-5-8-11(10)13/h2-3,7H,4-6,8-9H2,1H3
InChI Key:
RRSYBJNSXISFAI-UHFFFAOYSA-N
SMILES:
COC(=O)CC/C=C\CC1=CCCC1=O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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