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124854-38-2 | Benzoic acid, 4-methoxy-, 2-naphthalenyl ester
CAS No: 124854-38-2 Catalog No: AG000MT4 MDL No:
Product Description
Catalog Number:
AG000MT4
Chemical Name:
Benzoic acid, 4-methoxy-, 2-naphthalenyl ester
CAS Number:
124854-38-2
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
naphthalen-2-yl 4-methoxybenzoate
InChI:
InChI=1S/C18H14O3/c1-20-16-9-7-14(8-10-16)18(19)21-17-11-6-13-4-2-3-5-15(13)12-17/h2-12H,1H3
InChI Key:
KGXPCWNHOHGJSW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Oc1ccc2c(c1)cccc2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.307g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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