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1240513-30-7 | 1-Naphthalenecarboxylic acid, 3,4-dihydro-5,6-dimethoxy-, methyl ester
CAS No: 1240513-30-7 Catalog No: AG000LGS MDL No:
Product Description
Catalog Number:
AG000LGS
Chemical Name:
1-Naphthalenecarboxylic acid, 3,4-dihydro-5,6-dimethoxy-, methyl ester
CAS Number:
1240513-30-7
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
IUPAC Name:
methyl 5,6-dimethoxy-3,4-dihydronaphthalene-1-carboxylate
InChI:
InChI=1S/C14H16O4/c1-16-12-8-7-9-10(13(12)17-2)5-4-6-11(9)14(15)18-3/h6-8H,4-5H2,1-3H3
InChI Key:
XCORKASNGYCRCW-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CCCc2c1ccc(c2OC)OC
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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