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127266-01-7 | 2-Naphthalenecarboxylic acid, 4-hydroxy-6-Methyl-, Methyl ester
CAS No: 127266-01-7 Catalog No: AG000WTQ MDL No:
Product Description
Catalog Number:
AG000WTQ
Chemical Name:
2-Naphthalenecarboxylic acid, 4-hydroxy-6-Methyl-, Methyl ester
CAS Number:
127266-01-7
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
methyl 4-hydroxy-6-methylnaphthalene-2-carboxylate
InChI:
InChI=1S/C13H12O3/c1-8-3-4-9-6-10(13(15)16-2)7-12(14)11(9)5-8/h3-7,14H,1-2H3
InChI Key:
UKKWQEPTBOQNCO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)c2c(c1)ccc(c2)C
Properties
Complexity:
264
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:
1
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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