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124338-53-0 | 2-Butanol, 3-(phenylmethoxy)-, (2S,3R)-
CAS No: 124338-53-0 Catalog No: AG000LW2 MDL No:
Product Description
Catalog Number:
AG000LW2
Chemical Name:
2-Butanol, 3-(phenylmethoxy)-, (2S,3R)-
CAS Number:
124338-53-0
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
3-phenylmethoxybutan-2-ol
InChI:
InChI=1S/C11H16O2/c1-9(12)10(2)13-8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChI Key:
VQEAOBYESZEWRQ-UHFFFAOYSA-N
SMILES:
C[C@H]([C@@H](O)C)OCc1ccccc1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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