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1751-78-6 | 1H-Pyrido[3,4-b]indole-6-carboxylic acid, 2,3,4,9-tetrahydro-1-oxo-
CAS No: 1751-78-6 Catalog No: AG002051 MDL No:MFCD04114775
Product Description
Catalog Number:
AG002051
Chemical Name:
1H-Pyrido[3,4-b]indole-6-carboxylic acid, 2,3,4,9-tetrahydro-1-oxo-
CAS Number:
1751-78-6
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
MDL Number:
MFCD04114775
IUPAC Name:
1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid
InChI:
InChI=1S/C12H10N2O3/c15-11-10-7(3-4-13-11)8-5-6(12(16)17)1-2-9(8)14-10/h1-2,5,14H,3-4H2,(H,13,15)(H,16,17)
InChI Key:
RIEWYZWJBCZQDP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)c1CCNC(=O)c1[nH]2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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