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Home Other Building Blocks 2-Hydroxy-3,4-dimethyl-2-cyclopenten-1-one

2-Hydroxy-3,4-dimethyl-2-cyclopenten-1-one

CAS No.:
21835-00-7
Catalog Number:
AG0037TC
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
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Product Description
Catalog Number:
AG0037TC
Chemical Name:
2-Hydroxy-3,4-dimethyl-2-cyclopenten-1-one
CAS Number:
21835-00-7
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD08282774
IUPAC Name:
2-hydroxy-3,4-dimethylcyclopent-2-en-1-one
InChI:
InChI=1S/C7H10O2/c1-4-3-6(8)7(9)5(4)2/h4,9H,3H2,1-2H3
InChI Key:
GXUQPCUHTNAVRJ-UHFFFAOYSA-N
SMILES:
CC1CC(=O)C(=C1C)O
EC Number:
244-604-4
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Fragrance material review on 2-hydroxy-3,4-dimethyl-2-cyclopenten-1-one. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20121001
Properties