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Home > Aldehydes > 876890-42-5
876890-42-5 | 2-Butyl-pyrimidine-5-carbaldehyde
CAS No: 876890-42-5 Catalog No: AG01EY3J MDL No:
Product Description
Catalog Number:
AG01EY3J
Chemical Name:
2-Butyl-pyrimidine-5-carbaldehyde
CAS Number:
876890-42-5
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
IUPAC Name:
2-butylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H12N2O/c1-2-3-4-9-10-5-8(7-12)6-11-9/h5-7H,2-4H2,1H3
InChI Key:
VEWHOIWZDHMAAT-UHFFFAOYSA-N
SMILES:
CCCCc1ncc(cn1)C=O
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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