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86702-81-0 | 2-HYDROXY-3,4,4-TRIMETHYLCYCLOPENT-2-ENONE
CAS No: 86702-81-0 Catalog No: AG004KJI MDL No:
Product Description
Catalog Number:
AG004KJI
Chemical Name:
2-HYDROXY-3,4,4-TRIMETHYLCYCLOPENT-2-ENONE
CAS Number:
86702-81-0
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
2-hydroxy-3,4,4-trimethylcyclopent-2-en-1-one
InChI:
InChI=1S/C8H12O2/c1-5-7(10)6(9)4-8(5,2)3/h10H,4H2,1-3H3
InChI Key:
LTRJTLUJZFBIEN-UHFFFAOYSA-N
SMILES:
O=C1CC(C(=C1O)C)(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:
1.2
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