AG002DBF

20127-63-3 | 9H-Pyrido[3,4-b]indole-1-carboxaldehyde

AG002DBF

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CAS Number	20127-63-3
Catalog Number	AG002DBF(AGN-PC-0LPYWR)
Chemical Name	9H-Pyrido[3,4-b]indole-1-carboxaldehyde
IUPAC Name	9H-pyrido[3,4-b]indole-1-carbaldehyde
InChI	InChI=1S/C12H8N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-7,14H
InChI Key	CHQBGSRZQLMDEX-UHFFFAOYSA-N
MDL Number	MFCD14706724
Molecular Formula	C12H8N2O
Molecular Weight	196.2047
NSC Number	149850
SMILES	C1(=NC=CC2=C1NC1=CC=CC=C21)C=O
Synonyms	9H-pyrido[3,4-b]indole-1-carbaldehyde, 20127-63-3, 9H-pyrido[3,4-b]indole-1-carboxaldehyde, beta-carboline-1-carbaldehyde, CHQBGSRZQLMDEX-UHFFFAOYSA-N, NSC149850, AC1NSVHT, 1-Formyl-|A-carboline, 1-Formyl-beta-carboline, 1-Formyl-.beta.-carboline, 1-formyl-9H-beta-carboline, 9H-b-Carboline-1-carbaldehyde, SCHEMBL3621970, CHEMBL2171348, CTK4E3341, DTXSID10415722, 9H-Beta-carboline-1-carbaldehyde, 9H-Beta-carboline-1-carboxaldehyde, BCP05772, ZINC1744165, ZX-AT015549, 9H-Beta-carboline-1-carbaldehyde #, 6788AD, MFCD14706724, RW2974, AKOS015901393, NSC-149850, OR42202, QC-2185, ACM20127633, AJ-31396, AK157871, AM807374, AB0081584, AX8291843, ST2406626, I14-15425, InChI=1/C12H8N2O/c15-7-11-12-9(5-6-13-11)8-3-1-2-4-10(8)14-12/h1-7,14, C12H8N2O, CID5317375,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.064g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.209g/mol
Monoisotopic Mass	196.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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