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155489-00-2 | 1,2-Butanediol, 3-methyl-4-(phenylmethoxy)-, (2R,3R)-
CAS No: 155489-00-2 Catalog No: AG001NYC MDL No:
Product Description
Catalog Number:
AG001NYC
Chemical Name:
1,2-Butanediol, 3-methyl-4-(phenylmethoxy)-, (2R,3R)-
CAS Number:
155489-00-2
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
(2R,3R)-3-methyl-4-phenylmethoxybutane-1,2-diol
InChI:
InChI=1S/C12H18O3/c1-10(12(14)7-13)8-15-9-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m1/s1
InChI Key:
BSAZSOBKWUSCEH-PWSUYJOCSA-N
SMILES:
OC[C@@H]([C@@H](COCc1ccccc1)C)O
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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