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2852-84-8 | Pentanedioic acid, 2,3-diphenyl-
CAS No: 2852-84-8 Catalog No: AG002VME MDL No:
Product Description
Catalog Number:
AG002VME
Chemical Name:
Pentanedioic acid, 2,3-diphenyl-
CAS Number:
2852-84-8
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
IUPAC Name:
2,3-diphenylpentanedioic acid
InChI:
InChI=1S/C17H16O4/c18-15(19)11-14(12-7-3-1-4-8-12)16(17(20)21)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,18,19)(H,20,21)
InChI Key:
MGMOTQPFSPLGOV-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(c1ccccc1)C(=O)O)c1ccccc1
NSC Number:
12256
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.311g/mol
Monoisotopic Mass:
284.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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