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892874-85-0 | 2,6,7-Trimethylquinoline-3-carboxylic acid
CAS No: 892874-85-0 Catalog No: AG0040ZH MDL No:
Product Description
Catalog Number:
AG0040ZH
Chemical Name:
2,6,7-Trimethylquinoline-3-carboxylic acid
CAS Number:
892874-85-0
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
2,6,7-trimethylquinoline-3-carboxylic acid
InChI:
InChI=1S/C13H13NO2/c1-7-4-10-6-11(13(15)16)9(3)14-12(10)5-8(7)2/h4-6H,1-3H3,(H,15,16)
InChI Key:
HTABCEYMZVHZAM-UHFFFAOYSA-N
SMILES:
Cc1cc2cc(C(=O)O)c(nc2cc1C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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