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123920-43-4 | 2,3-Butanediol, 2-methyl-1-(phenylmethoxy)-, (2R,3S)-rel-
CAS No: 123920-43-4 Catalog No: AG000L8W MDL No:
Product Description
Catalog Number:
AG000L8W
Chemical Name:
2,3-Butanediol, 2-methyl-1-(phenylmethoxy)-, (2R,3S)-rel-
CAS Number:
123920-43-4
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
2-methyl-1-phenylmethoxybutane-2,3-diol
InChI:
InChI=1S/C12H18O3/c1-10(13)12(2,14)9-15-8-11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3
InChI Key:
WMQNSBGUSITLQS-UHFFFAOYSA-N
SMILES:
C[C@@H]([C@@](COCc1ccccc1)(O)C)O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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