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24950-98-9 | 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-2-nitroso-
CAS No: 24950-98-9 Catalog No: AG002PYT MDL No:
Product Description
Catalog Number:
AG002PYT
Chemical Name:
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-2-nitroso-
CAS Number:
24950-98-9
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
IUPAC Name:
2-nitroso-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
InChI:
InChI=1S/C12H11N3O3/c16-12(17)11-5-8-7-3-1-2-4-9(7)13-10(8)6-15(11)14-18/h1-4,11,13H,5-6H2,(H,16,17)
InChI Key:
DRTFWPICAIIAHO-UHFFFAOYSA-N
SMILES:
O=NN1Cc2[nH]c3c(c2CC1C(=O)O)cccc3
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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