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71719-44-3 | 2-Cyclopenten-1-one, 5-(hydroxymethyl)-2,3-dimethyl-
CAS No: 71719-44-3 Catalog No: AG005FR8 MDL No:
Product Description
Catalog Number:
AG005FR8
Chemical Name:
2-Cyclopenten-1-one, 5-(hydroxymethyl)-2,3-dimethyl-
CAS Number:
71719-44-3
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
5-(hydroxymethyl)-2,3-dimethylcyclopent-2-en-1-one
InChI:
InChI=1S/C8H12O2/c1-5-3-7(4-9)8(10)6(5)2/h7,9H,3-4H2,1-2H3
InChI Key:
QUXUSAUPOUULTI-UHFFFAOYSA-N
SMILES:
OCC1CC(=C(C1=O)C)C
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:
0.7
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