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Home > Aldehydes > 720696-71-9
720696-71-9 | 3-(2,5-DIMETHYLPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 720696-71-9 Catalog No: AG005DAU MDL No:MFCD08059872
Product Description
Catalog Number:
AG005DAU
Chemical Name:
3-(2,5-DIMETHYLPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
720696-71-9
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD08059872
IUPAC Name:
5-(2,5-dimethylphenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H12N2O/c1-8-3-4-9(2)11(5-8)12-10(7-15)6-13-14-12/h3-7H,1-2H3,(H,13,14)
InChI Key:
VAZHRVTXGPCPLL-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1cc(C)ccc1C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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