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80-71-7 | 2-Hydroxy-3-methylcyclopent-2-enone
CAS No: 80-71-7 Catalog No: AG003RZZ MDL No:MFCD00013747
Product Description
Catalog Number:
AG003RZZ
Chemical Name:
2-Hydroxy-3-methylcyclopent-2-enone
CAS Number:
80-71-7
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
MDL Number:
MFCD00013747
IUPAC Name:
2-hydroxy-3-methylcyclopent-2-en-1-one
InChI:
InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3
InChI Key:
CFAKWWQIUFSQFU-UHFFFAOYSA-N
SMILES:
OC1=C(C)CCC1=O
EC Number:
201-303-2
UNII:
627E92X64B
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Fragrance material review on cyclotene propionate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20121001 |
| Prooxidant action of furanone compounds: implication of reactive oxygen species in the metal-dependent strand breaks and the formation of 8-hydroxy-2'-deoxyguanosine in DNA. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20070701 |
| Quantitative model studies on the efficiency of precursors in the formation of cooling-active 1-pyrrolidinyl-2-cyclopenten-1-ones and bitter-tasting cyclopenta-[b]azepin-8(1H)-ones. | Journal of agricultural and food chemistry 20020828 |
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