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86761-18-4 | 1,2-Ethanediol, 1,2-diphenyl-, monoacetate
CAS No: 86761-18-4 Catalog No: AG004NAZ MDL No:
Product Description
Catalog Number:
AG004NAZ
Chemical Name:
1,2-Ethanediol, 1,2-diphenyl-, monoacetate
CAS Number:
86761-18-4
Molecular Formula:
C16H18O4
Molecular Weight:
274.3117
IUPAC Name:
acetic acid;1,2-diphenylethane-1,2-diol
InChI:
InChI=1S/C14H14O2.C2H4O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-2(3)4/h1-10,13-16H;1H3,(H,3,4)
InChI Key:
ISLNXGFPAGUIQL-UHFFFAOYSA-N
SMILES:
OC(C(c1ccccc1)O)c1ccccc1.CC(=O)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.316g/mol
Monoisotopic Mass:
274.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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