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66446-45-5 | 3-Indolizinecarboxaldehyde, 1-(pyridinyl)-
CAS No: 66446-45-5 Catalog No: AG006LJZ MDL No:
Product Description
Catalog Number:
AG006LJZ
Chemical Name:
3-Indolizinecarboxaldehyde, 1-(pyridinyl)-
CAS Number:
66446-45-5
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
IUPAC Name:
1-pyridin-2-ylindolizine-3-carbaldehyde
InChI:
InChI=1S/C14H10N2O/c17-10-11-9-12(13-5-1-3-7-15-13)14-6-2-4-8-16(11)14/h1-10H
InChI Key:
MPCJKUYLIDOPRH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c2n1cccc2)c1ccccn1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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