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Home > Aldehydes > 934570-54-4
934570-54-4 | 4-(3,5-Dimethyl-1H-pyrazol-1-yl);benzaldehyde
CAS No: 934570-54-4 Catalog No: AG006FXB MDL No:MFCD06800625
Product Description
Catalog Number:
AG006FXB
Chemical Name:
4-(3,5-Dimethyl-1H-pyrazol-1-yl);benzaldehyde
CAS Number:
934570-54-4
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD06800625
IUPAC Name:
4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
InChI:
InChI=1S/C12H12N2O/c1-9-7-10(2)14(13-9)12-5-3-11(8-15)4-6-12/h3-8H,1-2H3
InChI Key:
XSNMWJQOHKWNKY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)n1nc(cc1C)C
Properties
Complexity:
224
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:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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