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99765-54-5 | 2-(1-chloro-4-methylcyclohex-3-en-1-yl)propan-2-ol
CAS No: 99765-54-5 Catalog No: AG003X0U MDL No:
Product Description
Catalog Number:
AG003X0U
Chemical Name:
2-(1-chloro-4-methylcyclohex-3-en-1-yl)propan-2-ol
CAS Number:
99765-54-5
Molecular Formula:
C10H17ClO
Molecular Weight:
188.6944
IUPAC Name:
2-(1-chloro-4-methylcyclohex-3-en-1-yl)propan-2-ol
InChI:
InChI=1S/C10H17ClO/c1-8-4-6-10(11,7-5-8)9(2,3)12/h4,12H,5-7H2,1-3H3
InChI Key:
PROWDYCYHQXLQJ-UHFFFAOYSA-N
SMILES:
CC1=CCC(CC1)(Cl)C(O)(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.097g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.695g/mol
Monoisotopic Mass:
188.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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