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Home > Pyridines > 1046162-77-9
1046162-77-9 | 2-[(pyridin-3-yl)methylidene]butanal
CAS No: 1046162-77-9 Catalog No: AG01C0GW MDL No:MFCD19313342
Product Description
Catalog Number:
AG01C0GW
Chemical Name:
2-[(pyridin-3-yl)methylidene]butanal
CAS Number:
1046162-77-9
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD19313342
IUPAC Name:
2-(pyridin-3-ylmethylidene)butanal
InChI:
InChI=1S/C10H11NO/c1-2-9(8-12)6-10-4-3-5-11-7-10/h3-8H,2H2,1H3
InChI Key:
SILMSHIJGWWXKI-UHFFFAOYSA-N
SMILES:
CCC(=Cc1cccnc1)C=O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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