α-(Phenylmethylene)-1-naphthaleneacetic Acid - CAS 71432-05-8

Catalog:	BB058217
Product Name:	α-(Phenylmethylene)-1-naphthaleneacetic Acid
CAS:	71432-05-8

Technical Data

IUPAC Name:	(Z)-2-naphthalen-1-yl-3-phenylprop-2-enoic acid
Description:	α-(Phenylmethylene)-1-naphthaleneacetic Acid is an intermediate in the synthesis of chrysene based polycyclic aromatic ketones found in environmental gas samples of wood and coal combustion gasses, municipal incineration waste gases, diesel exhaust, Al plant workplace and urban ambient air.
Molecular Weight:	274.31
Molecular Formula:	C19H14O2
Canonical SMILES:	C1=CC=C(C=C1)C=C(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI:	InChI=1S/C19H14O2/c20-19(21)18(13-14-7-2-1-3-8-14)17-12-6-10-15-9-4-5-11-16(15)17/h1-13H,(H,20,21)/b18-13-
InChI Key:	WDTPMTWSUDHDGR-AQTBWJFISA-N
Appearance:	Beige Solid
References:	Dai, W., et al. Org. Prep. Proc. Int., 29, 347 (1997).

Complexity:	392
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	274.099379685
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	274.099379685
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8