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Home > Aldehydes > 1500952-18-0
1500952-18-0 | 6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde
CAS No: 1500952-18-0 Catalog No: AG01DVEY MDL No:MFCD23952647
Product Description
Catalog Number:
AG01DVEY
Chemical Name:
6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde
CAS Number:
1500952-18-0
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
MDL Number:
MFCD23952647
IUPAC Name:
6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C12H13N3O/c1-9(2)11-5-6-15(14-11)12-4-3-10(8-16)7-13-12/h3-9H,1-2H3
InChI Key:
HWRMFXYEBDAKSO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(nc1)n1ccc(n1)C(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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