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1227267-06-2 | 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 2,5-dimethyl-
CAS No: 1227267-06-2 Catalog No: AG000J1Z MDL No:
Product Description
Catalog Number:
AG000J1Z
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 2,5-dimethyl-
CAS Number:
1227267-06-2
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
2,5-dimethyl-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C10H10N2O2/c1-5-3-7-8(4-11-5)12-6(2)9(7)10(13)14/h3-4,12H,1-2H3,(H,13,14)
InChI Key:
QIMMGAVUMAWKNP-UHFFFAOYSA-N
SMILES:
Cc1ncc2c(c1)c(C(=O)O)c([nH]2)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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