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Home > Pyridines > 1306603-51-9
1306603-51-9 | 2,2-dimethyl-4-(pyridin-2-yl)butanal
CAS No: 1306603-51-9 Catalog No: AG01AI4D MDL No:MFCD18838833
Product Description
Catalog Number:
AG01AI4D
Chemical Name:
2,2-dimethyl-4-(pyridin-2-yl)butanal
CAS Number:
1306603-51-9
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD18838833
IUPAC Name:
2,2-dimethyl-4-pyridin-2-ylbutanal
InChI:
InChI=1S/C11H15NO/c1-11(2,9-13)7-6-10-5-3-4-8-12-10/h3-5,8-9H,6-7H2,1-2H3
InChI Key:
BCFVOIZWTKIZNI-UHFFFAOYSA-N
SMILES:
O=CC(CCc1ccccn1)(C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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