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342601-28-9 | 5-(1-METHYL-1H-PYRAZOL-4-YL)NICOTINALDEHYDE
CAS No: 342601-28-9 Catalog No: AG01CA39 MDL No:MFCD22063254
Product Description
Catalog Number:
AG01CA39
Chemical Name:
5-(1-METHYL-1H-PYRAZOL-4-YL)NICOTINALDEHYDE
CAS Number:
342601-28-9
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD22063254
IUPAC Name:
5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C10H9N3O/c1-13-6-10(5-12-13)9-2-8(7-14)3-11-4-9/h2-7H,1H3
InChI Key:
SYCHAUTYSSIBOD-UHFFFAOYSA-N
SMILES:
O=Cc1cncc(c1)c1cnn(c1)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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