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86802-66-6 | Benzoic acid, 3-methyl-2-(1-naphthalenylmethyl)-
CAS No: 86802-66-6 Catalog No: AG004J3G MDL No:
Product Description
Catalog Number:
AG004J3G
Chemical Name:
Benzoic acid, 3-methyl-2-(1-naphthalenylmethyl)-
CAS Number:
86802-66-6
Molecular Formula:
C19H16O2
Molecular Weight:
276.3291
IUPAC Name:
3-methyl-2-(naphthalen-1-ylmethyl)benzoic acid
InChI:
InChI=1S/C19H16O2/c1-13-6-4-11-17(19(20)21)18(13)12-15-9-5-8-14-7-2-3-10-16(14)15/h2-11H,12H2,1H3,(H,20,21)
InChI Key:
LWRXTEZURSWBQK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1Cc1cccc2c1cccc2)C
Properties
Complexity:
365
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:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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