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20127-63-3 | 9H-Pyrido[3,4-b]indole-1-carboxaldehyde
CAS No: 20127-63-3 Catalog No: AG002DBF MDL No:MFCD14706724
Product Description
Catalog Number:
AG002DBF
Chemical Name:
9H-Pyrido[3,4-b]indole-1-carboxaldehyde
CAS Number:
20127-63-3
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
MDL Number:
MFCD14706724
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
SMILES:
O=Cc1nccc2c1[nH]c1c2cccc1
NSC Number:
149850
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:
2.1
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