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Home > Aldehydes > 1345472-13-0
1345472-13-0 | 1-Butyl-1H-pyrazole-5-carbaldehyde
CAS No: 1345472-13-0 Catalog No: AG007ZXP MDL No:MFCD20441938
Product Description
Catalog Number:
AG007ZXP
Chemical Name:
1-Butyl-1H-pyrazole-5-carbaldehyde
CAS Number:
1345472-13-0
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD20441938
IUPAC Name:
2-butylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C8H12N2O/c1-2-3-6-10-8(7-11)4-5-9-10/h4-5,7H,2-3,6H2,1H3
InChI Key:
ASHIUVHKQZMLDQ-UHFFFAOYSA-N
SMILES:
CCCCn1nccc1C=O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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