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Home > Aldehydes > 1015845-86-9
1015845-86-9 | Benzaldehyde, 2,4-dimethyl-6-(1H-pyrazol-1-yl)-
CAS No: 1015845-86-9 Catalog No: AG0004V3 MDL No:MFCD08059862
Product Description
Catalog Number:
AG0004V3
Chemical Name:
Benzaldehyde, 2,4-dimethyl-6-(1H-pyrazol-1-yl)-
CAS Number:
1015845-86-9
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD08059862
IUPAC Name:
2,4-dimethyl-6-pyrazol-1-ylbenzaldehyde
InChI:
InChI=1S/C12H12N2O/c1-9-6-10(2)11(8-15)12(7-9)14-5-3-4-13-14/h3-8H,1-2H3
InChI Key:
XUMYFVVVQGGVSQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(cc1n1cccn1)C
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:
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:
2.1
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