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23535-17-3

23535-17-3 | 2-Cyclopenten-1-one, 4-hydroxy-2-methyl-

CAS No: 23535-17-3 Catalog No: AG002NME MDL No:

Product Description

Catalog Number:
AG002NME
Chemical Name:
2-Cyclopenten-1-one, 4-hydroxy-2-methyl-
CAS Number:
23535-17-3
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
4-hydroxy-2-methylcyclopent-2-en-1-one
InChI:
InChI=1S/C6H8O2/c1-4-2-5(7)3-6(4)8/h2,5,7H,3H2,1H3
InChI Key:
QSAULTQZSJKLPS-UHFFFAOYSA-N
SMILES:
OC1CC(=O)C(=C1)C

Properties

Complexity:
147  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

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