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342601-15-4 | 1-(pyridin-3-yl)-1H-pyrrole-3-carbaldehyde
CAS No: 342601-15-4 Catalog No: AG01B1VB MDL No:MFCD07381325
Product Description
Catalog Number:
AG01B1VB
Chemical Name:
1-(pyridin-3-yl)-1H-pyrrole-3-carbaldehyde
CAS Number:
342601-15-4
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD07381325
IUPAC Name:
1-pyridin-3-ylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C10H8N2O/c13-8-9-3-5-12(7-9)10-2-1-4-11-6-10/h1-8H
InChI Key:
QPJCJYNRNBFCKF-UHFFFAOYSA-N
SMILES:
O=Cc1ccn(c1)c1cccnc1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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