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1027345-21-6 | 1-Cyclohexene-1-methanol, 2-(4-chlorophenyl)-5,5-dimethyl-
CAS No: 1027345-21-6 Catalog No: AG00088N MDL No:
Product Description
Catalog Number:
AG00088N
Chemical Name:
1-Cyclohexene-1-methanol, 2-(4-chlorophenyl)-5,5-dimethyl-
CAS Number:
1027345-21-6
Molecular Formula:
C15H19ClO
Molecular Weight:
250.7638
IUPAC Name:
[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methanol
InChI:
InChI=1S/C15H19ClO/c1-15(2)8-7-14(12(9-15)10-17)11-3-5-13(16)6-4-11/h3-6,17H,7-10H2,1-2H3
InChI Key:
ULAIGCLXZFNTPI-UHFFFAOYSA-N
SMILES:
OCC1=C(CCC(C1)(C)C)c1ccc(cc1)Cl
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.766g/mol
Monoisotopic Mass:
250.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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