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84647-13-2 | Benzoic acid, 4-methyl-, 2-naphthalenyl ester
CAS No: 84647-13-2 Catalog No: AG0050FL MDL No:
Product Description
Catalog Number:
AG0050FL
Chemical Name:
Benzoic acid, 4-methyl-, 2-naphthalenyl ester
CAS Number:
84647-13-2
Molecular Formula:
C18H14O2
Molecular Weight:
262.3026
IUPAC Name:
naphthalen-2-yl 4-methylbenzoate
InChI:
InChI=1S/C18H14O2/c1-13-6-8-15(9-7-13)18(19)20-17-11-10-14-4-2-3-5-16(14)12-17/h2-12H,1H3
InChI Key:
YFQGMYOMLGSYSX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)Oc1ccc2c(c1)cccc2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.308g/mol
Monoisotopic Mass:
262.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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