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10186-26-2 | Butanedioic acid, 2,2-diphenyl-
CAS No: 10186-26-2 Catalog No: AG0005S0 MDL No:
Product Description
Catalog Number:
AG0005S0
Chemical Name:
Butanedioic acid, 2,2-diphenyl-
CAS Number:
10186-26-2
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
IUPAC Name:
2,2-diphenylbutanedioic acid
InChI:
InChI=1S/C16H14O4/c17-14(18)11-16(15(19)20,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,18)(H,19,20)
InChI Key:
LVVXLDUCGFTWHJ-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)(c1ccccc1)CC(=O)O
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2.4
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