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19930-54-2 | 1-Naphthalenecarboxylic acid, 6,7-dimethyl-
CAS No: 19930-54-2 Catalog No: AG002C1O MDL No:
Product Description
Catalog Number:
AG002C1O
Chemical Name:
1-Naphthalenecarboxylic acid, 6,7-dimethyl-
CAS Number:
19930-54-2
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
IUPAC Name:
6,7-dimethylnaphthalene-1-carboxylic acid
InChI:
InChI=1S/C13H12O2/c1-8-6-10-4-3-5-11(13(14)15)12(10)7-9(8)2/h3-7H,1-2H3,(H,14,15)
InChI Key:
NQINVDNNQSJCHQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1cc(C)c(c2)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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