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3033-53-2 | Cyclopentanecarboxylic acid, 2-methyl-3-oxo-
CAS No: 3033-53-2 Catalog No: AG002ZRZ MDL No:
Product Description
Catalog Number:
AG002ZRZ
Chemical Name:
Cyclopentanecarboxylic acid, 2-methyl-3-oxo-
CAS Number:
3033-53-2
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
IUPAC Name:
2-methyl-3-oxocyclopentane-1-carboxylic acid
InChI:
InChI=1S/C7H10O3/c1-4-5(7(9)10)2-3-6(4)8/h4-5H,2-3H2,1H3,(H,9,10)
InChI Key:
XFFBZNIHNHNMFL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(=O)C1C
NSC Number:
409561
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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