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202121-54-8 | 1,2-Ethanediol, 1,2-diphenyl-, 1-benzoate, (1S,2R)-
CAS No: 202121-54-8 Catalog No: AG00282L MDL No:
Product Description
Catalog Number:
AG00282L
Chemical Name:
1,2-Ethanediol, 1,2-diphenyl-, 1-benzoate, (1S,2R)-
CAS Number:
202121-54-8
Molecular Formula:
C21H18O3
Molecular Weight:
318.3658
IUPAC Name:
benzoic acid;(1R,2S)-1,2-diphenylethane-1,2-diol
InChI:
InChI=1S/C14H14O2.C7H6O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h1-10,13-16H;1-5H,(H,8,9)/t13-,14+;
InChI Key:
LIDFGHKZFMBDDC-KAECKJJSSA-N
SMILES:
O=C(c1ccccc1)O[C@H]([C@@H](c1ccccc1)O)c1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
336.136g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
336.387g/mol
Monoisotopic Mass:
336.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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