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75815-74-6 | 1-(o-Tolyl)-1H-pyrazole-4-carbaldehyde
CAS No: 75815-74-6 Catalog No: AG005UC7 MDL No:MFCD03780730
Product Description
Catalog Number:
AG005UC7
Chemical Name:
1-(o-Tolyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
75815-74-6
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD03780730
IUPAC Name:
1-(2-methylphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H10N2O/c1-9-4-2-3-5-11(9)13-7-10(8-14)6-12-13/h2-8H,1H3
InChI Key:
WHVZBODPCRDKQK-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)c1ccccc1C
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:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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