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1225-13-4 | Butanedioic acid, 2,3-diphenyl-, (2R,3S)-rel-
CAS No: 1225-13-4 Catalog No: AG0017CC MDL No:MFCD00198082
Product Description
Catalog Number:
AG0017CC
Chemical Name:
Butanedioic acid, 2,3-diphenyl-, (2R,3S)-rel-
CAS Number:
1225-13-4
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
MDL Number:
MFCD00198082
IUPAC Name:
(2S,3R)-2,3-diphenylbutanedioic acid
InChI:
InChI=1S/C16H14O4/c17-15(18)13(11-7-3-1-4-8-11)14(16(19)20)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18)(H,19,20)/t13-,14+
InChI Key:
PVXCQHHWNDJIJP-OKILXGFUSA-N
SMILES:
OC(=O)[C@H]([C@@H](c1ccccc1)C(=O)O)c1ccccc1
EC Number:
214-953-7
NSC Number:
75627
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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