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13041-64-0 | 1-Naphthalenecarboxylic acid, 4-methoxy-, methyl ester
CAS No: 13041-64-0 Catalog No: AG000UEI MDL No:MFCD06203661
Product Description
Catalog Number:
AG000UEI
Chemical Name:
1-Naphthalenecarboxylic acid, 4-methoxy-, methyl ester
CAS Number:
13041-64-0
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
MDL Number:
MFCD06203661
IUPAC Name:
methyl 4-methoxynaphthalene-1-carboxylate
InChI:
InChI=1S/C13H12O3/c1-15-12-8-7-11(13(14)16-2)9-5-3-4-6-10(9)12/h3-8H,1-2H3
InChI Key:
KVYMSRWVZFWKLT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1cccc2)OC
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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