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141098-64-8 | 2-Cyclohexen-1-ol, 1-[(4-chlorophenyl)methyl]-4,4,6-trimethyl-
CAS No: 141098-64-8 Catalog No: AG001FWV MDL No:
Product Description
Catalog Number:
AG001FWV
Chemical Name:
2-Cyclohexen-1-ol, 1-[(4-chlorophenyl)methyl]-4,4,6-trimethyl-
CAS Number:
141098-64-8
Molecular Formula:
C16H21ClO
Molecular Weight:
264.7903
IUPAC Name:
1-[(4-chlorophenyl)methyl]-4,4,6-trimethylcyclohex-2-en-1-ol
InChI:
InChI=1S/C16H21ClO/c1-12-10-15(2,3)8-9-16(12,18)11-13-4-6-14(17)7-5-13/h4-9,12,18H,10-11H2,1-3H3
InChI Key:
QKYOTHJHUMABNW-UHFFFAOYSA-N
SMILES:
CC1CC(C)(C)C=CC1(O)Cc1ccc(cc1)Cl
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.128g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.793g/mol
Monoisotopic Mass:
264.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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