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1393793-96-8 | Benzeneacetic acid, 2-(4-methoxy-2-naphthalenyl)-
CAS No: 1393793-96-8 Catalog No: AG001AWC MDL No:
Product Description
Catalog Number:
AG001AWC
Chemical Name:
Benzeneacetic acid, 2-(4-methoxy-2-naphthalenyl)-
CAS Number:
1393793-96-8
Molecular Formula:
C19H16O3
Molecular Weight:
292.3285
IUPAC Name:
2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid
InChI:
InChI=1S/C21H20O3/c1-3-16(21(22)23)19-11-7-6-9-17(19)15-12-14-8-4-5-10-18(14)20(13-15)24-2/h4-13,16H,3H2,1-2H3,(H,22,23)
InChI Key:
AVPPPGSWCBWIJV-UHFFFAOYSA-N
SMILES:
COc1cc(cc2c1cccc2)c1ccccc1CC(=O)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.141g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.388g/mol
Monoisotopic Mass:
320.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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