Home Aldehydes 3-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde

3-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde

CAS No.:
879996-61-9
Catalog Number:
AG00J75U
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
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Product Description
Catalog Number:
AG00J75U
Chemical Name:
3-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
879996-61-9
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD06662329
IUPAC Name:
5-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H10N2O/c1-8-3-2-4-9(5-8)11-10(7-14)6-12-13-11/h2-7H,1H3,(H,12,13)
InChI Key:
DMYBJXNQJAEREE-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1cccc(c1)C
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  
Properties