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122332-13-2 | Benzenemethanol, α-[(1S)-1-methyl-2-propen-1-yl]-, (αR)-
CAS No: 122332-13-2 Catalog No: AG00174U MDL No:
Product Description
Catalog Number:
AG00174U
Chemical Name:
Benzenemethanol, α-[(1S)-1-methyl-2-propen-1-yl]-, (αR)-
CAS Number:
122332-13-2
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
IUPAC Name:
(1S)-2-methyl-1-phenylbut-3-en-1-ol
InChI:
InChI=1S/C11H14O/c1-3-9(2)11(12)10-7-5-4-6-8-10/h3-9,11-12H,1H2,2H3/t9?,11-/m0/s1
InChI Key:
DLSYQCLRLSWCDC-UMJHXOGRSA-N
SMILES:
C=C[C@@H]([C@H](c1ccccc1)O)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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