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74600-39-8 | 2-Cyclopenten-1-one, 3-(1-hydroxyethyl)-2-methyl-
CAS No: 74600-39-8 Catalog No: AG005J4E MDL No:
Product Description
Catalog Number:
AG005J4E
Chemical Name:
2-Cyclopenten-1-one, 3-(1-hydroxyethyl)-2-methyl-
CAS Number:
74600-39-8
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
3-(1-hydroxyethyl)-2-methylcyclopent-2-en-1-one
InChI:
InChI=1S/C8H12O2/c1-5-7(6(2)9)3-4-8(5)10/h6,9H,3-4H2,1-2H3
InChI Key:
SCIRRVSSZJVVHI-UHFFFAOYSA-N
SMILES:
CC(C1=C(C)C(=O)CC1)O
Properties
Complexity:
191
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:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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