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127708-79-6 | 2-Cyclohexen-1-ol, 2-phenyl-, (1S)-
CAS No: 127708-79-6 Catalog No: AG000XBB MDL No:
Product Description
Catalog Number:
AG000XBB
Chemical Name:
2-Cyclohexen-1-ol, 2-phenyl-, (1S)-
CAS Number:
127708-79-6
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
(1S)-2-phenylcyclohex-2-en-1-ol
InChI:
InChI=1S/C12H14O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-8,12-13H,4-5,9H2/t12-/m0/s1
InChI Key:
SSZZWKMSCLLYGN-LBPRGKRZSA-N
SMILES:
O[C@H]1CCCC=C1c1ccccc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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