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88598-78-1 | Propanedioic acid, (2-[1,1'-biphenyl]-4-yl-2-oxoethyl)methyl-
CAS No: 88598-78-1 Catalog No: AG004CV9 MDL No:
Product Description
Catalog Number:
AG004CV9
Chemical Name:
Propanedioic acid, (2-[1,1'-biphenyl]-4-yl-2-oxoethyl)methyl-
CAS Number:
88598-78-1
Molecular Formula:
C18H16O5
Molecular Weight:
312.3166
IUPAC Name:
2-methyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]propanedioic acid
InChI:
InChI=1S/C18H16O5/c1-18(16(20)21,17(22)23)11-15(19)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,21)(H,22,23)
InChI Key:
LRZSUVXLJFBPNB-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)c1ccccc1)CC(C(=O)O)(C(=O)O)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.321g/mol
Monoisotopic Mass:
312.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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