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115514-31-3 | 1-Cyclopentene-1-carboxylic acid, 5-methyl-3-oxo-, methyl ester
CAS No: 115514-31-3 Catalog No: AG000G3Z MDL No:
Product Description
Catalog Number:
AG000G3Z
Chemical Name:
1-Cyclopentene-1-carboxylic acid, 5-methyl-3-oxo-, methyl ester
CAS Number:
115514-31-3
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
IUPAC Name:
methyl 5-methyl-3-oxocyclopentene-1-carboxylate
InChI:
InChI=1S/C8H10O3/c1-5-3-6(9)4-7(5)8(10)11-2/h4-5H,3H2,1-2H3
InChI Key:
VPNAWTZKIRESFT-UHFFFAOYSA-N
SMILES:
CC1CC(=O)C=C1C(=O)OC
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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