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141978-04-3 | 2-Cyclohexen-1-one, 4-hydroxy-3-methyl-6-(1-methylethyl)-
CAS No: 141978-04-3 Catalog No: AG001HGT MDL No:
Product Description
Catalog Number:
AG001HGT
Chemical Name:
2-Cyclohexen-1-one, 4-hydroxy-3-methyl-6-(1-methylethyl)-
CAS Number:
141978-04-3
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
4-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H16O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8-9,11H,5H2,1-3H3
InChI Key:
HEJGMQATUPGCRD-UHFFFAOYSA-N
SMILES:
CC(C1CC(O)C(=CC1=O)C)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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