Home Carboxys 9H-pyrido[3,4-b]indole-1-carboxylic acid

9H-pyrido[3,4-b]indole-1-carboxylic acid

CAS No.:
26052-96-0
Catalog Number:
AG01B9L5
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
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Product Description
Catalog Number:
AG01B9L5
Chemical Name:
9H-pyrido[3,4-b]indole-1-carboxylic acid
CAS Number:
26052-96-0
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
MDL Number:
MFCD18803849
IUPAC Name:
9H-pyrido[3,4-b]indole-1-carboxylic acid
InChI:
InChI=1S/C12H8N2O2/c15-12(16)11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10/h1-6,14H,(H,15,16)
InChI Key:
VNPNEGORDFERGK-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc2c1[nH]c1c2cccc1
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties