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17790-74-8 | 2-Cyclopentene-1-carboxylic acid, 2-methyl-4-oxo-, ethyl ester
CAS No: 17790-74-8 Catalog No: AG0025LM MDL No:MFCD24688643
Product Description
Catalog Number:
AG0025LM
Chemical Name:
2-Cyclopentene-1-carboxylic acid, 2-methyl-4-oxo-, ethyl ester
CAS Number:
17790-74-8
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD24688643
IUPAC Name:
ethyl 2-methyl-4-oxocyclopent-2-ene-1-carboxylate
InChI:
InChI=1S/C9H12O3/c1-3-12-9(11)8-5-7(10)4-6(8)2/h4,8H,3,5H2,1-2H3
InChI Key:
FIOFMYNFIRAGTI-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)CC1C(=O)OCC
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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