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10022-82-9 | 3H-Pyrido[3,4-b]indole-3-carboxylic acid, 4,9-dihydro-1-methyl-
CAS No: 10022-82-9 Catalog No: AG0001A9 MDL No:
Product Description
Catalog Number:
AG0001A9
Chemical Name:
3H-Pyrido[3,4-b]indole-3-carboxylic acid, 4,9-dihydro-1-methyl-
CAS Number:
10022-82-9
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid
InChI:
InChI=1S/C13H12N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,11,15H,6H2,1H3,(H,16,17)
InChI Key:
DEAAKPHRJVNJBN-UHFFFAOYSA-N
SMILES:
OC(=O)C1N=C(C)c2c(C1)c1ccccc1[nH]2
NSC Number:
623959
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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