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832730-93-5 | Benzeneacetic acid, 4-(2-naphthalenylmethyl)-
CAS No: 832730-93-5 Catalog No: AG004XWB MDL No:
Product Description
Catalog Number:
AG004XWB
Chemical Name:
Benzeneacetic acid, 4-(2-naphthalenylmethyl)-
CAS Number:
832730-93-5
Molecular Formula:
C19H16O2
Molecular Weight:
276.3291
IUPAC Name:
2-[4-(naphthalen-2-ylmethyl)phenyl]acetic acid
InChI:
InChI=1S/C19H16O2/c20-19(21)13-15-7-5-14(6-8-15)11-16-9-10-17-3-1-2-4-18(17)12-16/h1-10,12H,11,13H2,(H,20,21)
InChI Key:
ZTOYQYXNKOYYFO-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)Cc1ccc2c(c1)cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.115g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.335g/mol
Monoisotopic Mass:
276.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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