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Home > Aldehydes > 1234174-42-5
1234174-42-5 | 3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde
CAS No: 1234174-42-5 Catalog No: AG01DQTI MDL No:
Product Description
Catalog Number:
AG01DQTI
Chemical Name:
3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde
CAS Number:
1234174-42-5
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde
InChI:
InChI=1S/C11H10N2O/c1-8-11(6-12-13-8)10-4-2-3-9(5-10)7-14/h2-7H,1H3,(H,12,13)
InChI Key:
BSRXSIQQXQHCHK-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1cn[nH]c1C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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