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117039-90-4 | 2-Butanol, 1-(phenylmethoxy)-, (2S)-
CAS No: 117039-90-4 Catalog No: AG000DLY MDL No:
Product Description
Catalog Number:
AG000DLY
Chemical Name:
2-Butanol, 1-(phenylmethoxy)-, (2S)-
CAS Number:
117039-90-4
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
(2S)-1-phenylmethoxybutan-2-ol
InChI:
InChI=1S/C11H16O2/c1-2-11(12)9-13-8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3/t11-/m0/s1
InChI Key:
ZBNXMTHJYVSJGZ-NSHDSACASA-N
SMILES:
CC[C@@H](COCc1ccccc1)O
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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