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2473-19-0 | 2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-6-methoxy-, methyl ester
CAS No: 2473-19-0 Catalog No: AG002P9N MDL No:MFCD20259769
Product Description
Catalog Number:
AG002P9N
Chemical Name:
2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-6-methoxy-, methyl ester
CAS Number:
2473-19-0
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD20259769
IUPAC Name:
methyl 6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
InChI:
InChI=1S/C13H16O3/c1-15-12-6-5-9-7-11(13(14)16-2)4-3-10(9)8-12/h5-6,8,11H,3-4,7H2,1-2H3
InChI Key:
RVRLWBZKHLMAEM-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCc2c(C1)ccc(c2)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:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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