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101470-81-9 | 2-Butanol, 3-methyl-4-[(phenylmethoxy)methoxy]-, (2S,3R)-
CAS No: 101470-81-9 Catalog No: AG0004K4 MDL No:
Product Description
Catalog Number:
AG0004K4
Chemical Name:
2-Butanol, 3-methyl-4-[(phenylmethoxy)methoxy]-, (2S,3R)-
CAS Number:
101470-81-9
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
(2S,3R)-3-methyl-4-(phenylmethoxymethoxy)butan-2-ol
InChI:
InChI=1S/C13H20O3/c1-11(12(2)14)8-15-10-16-9-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/t11-,12+/m1/s1
InChI Key:
PYLLKXLKTPLYJI-NEPJUHHUSA-N
SMILES:
C[C@@H]([C@@H](O)C)COCOCc1ccccc1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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