biphenyl-4-yl-acetaldehyde

biphenyl-4-yl-acetaldehyde

CAS: 5728-52-9

Formula: C14H12O2

SMILES: OC(=O)CC1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: 2-{[1,1'-biphenyl]-4-yl}acetic acid

InChI: InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)

Composition: C (79.23%), H (5.70%), O (15.08%)

Molar Mass: 212.248

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	biphenyl-4-yl-acetaldehyde; dolinac; felbinac; felbinaco; felbinacum; napageln; traxam; ????
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	212.083729626
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QRZAKQDHEVVFRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.5
Topological Polar Surface Area	37.3
Polarizability	25.51
Ring Count	2
Rotatable Bond Count	3

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