phenanthrene-2-carboxylic acid

phenanthrene-2-carboxylic acid

CAS: 40452-20-8

Formula: C15H10O2

SMILES: OC(=O)C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2

IUPAC: phenanthrene-2-carboxylic acid

InChI: InChI=1S/C15H10O2/c16-15(17)12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H,(H,16,17)

Composition: C (81.07%), H (4.54%), O (14.40%)

Molar Mass: 222.243

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	222.068079562
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QTWYUOSZMIWHJV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.21
Topological Polar Surface Area	37.3
Polarizability	27.79
Ring Count	3
Rotatable Bond Count	1

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