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24730-93-6 | 2-Cyclohexen-1-one, 4-(hydroxymethyl)-4-methyl-
CAS No: 24730-93-6 Catalog No: AG002P98 MDL No:
Product Description
Catalog Number:
AG002P98
Chemical Name:
2-Cyclohexen-1-one, 4-(hydroxymethyl)-4-methyl-
CAS Number:
24730-93-6
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
4-(hydroxymethyl)-4-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C8H12O2/c1-8(6-9)4-2-7(10)3-5-8/h2,4,9H,3,5-6H2,1H3
InChI Key:
MDZHAUYWLJDPTH-UHFFFAOYSA-N
SMILES:
CC1(CO)CCC(=O)C=C1
Properties
Complexity:
172
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:
0.5
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