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292043-69-7 | 1-Cyclopentene-1-carboxylic acid, 3,3-dimethyl-5-oxo-
CAS No: 292043-69-7 Catalog No: AG002XOX MDL No:
Product Description
Catalog Number:
AG002XOX
Chemical Name:
1-Cyclopentene-1-carboxylic acid, 3,3-dimethyl-5-oxo-
CAS Number:
292043-69-7
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
IUPAC Name:
3,3-dimethyl-5-oxocyclopentene-1-carboxylic acid
InChI:
InChI=1S/C8H10O3/c1-8(2)3-5(7(10)11)6(9)4-8/h3H,4H2,1-2H3,(H,10,11)
InChI Key:
DWSHJQQMPNDZGA-UHFFFAOYSA-N
SMILES:
O=C1CC(C=C1C(=O)O)(C)C
Properties
Complexity:
248
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:
1
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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