3-(diphenylphosphanyl)-4-(methoxycarbonyl)benzoic acid

3-(diphenylphosphanyl)-4-(methoxycarbonyl)benzoic acid

CAS: 361154-31-6

Formula: C21H17O4P

SMILES: COC(=O)C1=CC=C(C=C1P(C1=CC=CC=C1)C1=CC=CC=C1)C(O)=O

IUPAC: 3-(diphenylphosphanyl)-4-(methoxycarbonyl)benzoic acid

InChI: InChI=1S/C21H17O4P/c1-25-21(24)18-13-12-15(20(22)23)14-19(18)26(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3,(H,22,23)

Composition: C (69.23%), H (4.70%), O (17.57%), P (8.50%)

Molar Mass: 364.337

Atom Count: 43

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	364.086446025
Formal Charge	0
FSP3	0.05
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WCXGUPASMSAFGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.9
Topological Polar Surface Area	63.6
Polarizability	38.97
Ring Count	3
Rotatable Bond Count	6

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