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82596-91-6 | 9H-PYRIDO[3,4-B]INDOLE-3-CARBOXALDEHYDE
CAS No: 82596-91-6 Catalog No: AG01CA8S MDL No:MFCD18803830
Product Description
Catalog Number:
AG01CA8S
Chemical Name:
9H-PYRIDO[3,4-B]INDOLE-3-CARBOXALDEHYDE
CAS Number:
82596-91-6
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
MDL Number:
MFCD18803830
IUPAC Name:
9H-pyrido[3,4-b]indole-3-carbaldehyde
InChI:
InChI=1S/C12H8N2O/c15-7-8-5-10-9-3-1-2-4-11(9)14-12(10)6-13-8/h1-7,14H
InChI Key:
ZDTJJKXTKRTAIU-UHFFFAOYSA-N
SMILES:
O=Cc1ncc2c(c1)c1ccccc1[nH]2
Properties
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:
3
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