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88033-58-3 | 2-Cyclopenten-1-one, 3-hydroxy-2,4,4-trimethyl-
CAS No: 88033-58-3 Catalog No: AG004JL3 MDL No:
Product Description
Catalog Number:
AG004JL3
Chemical Name:
2-Cyclopenten-1-one, 3-hydroxy-2,4,4-trimethyl-
CAS Number:
88033-58-3
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
3-hydroxy-2,4,4-trimethylcyclopent-2-en-1-one
InChI:
InChI=1S/C8H12O2/c1-5-6(9)4-8(2,3)7(5)10/h10H,4H2,1-3H3
InChI Key:
PBQJAPYFRQOQFE-UHFFFAOYSA-N
SMILES:
O=C1CC(C(=C1C)O)(C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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