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75519-54-9 | Benzaldehyde, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-
CAS No: 75519-54-9 Catalog No: AG005WVS MDL No:
Product Description
Catalog Number:
AG005WVS
Chemical Name:
Benzaldehyde, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-
CAS Number:
75519-54-9
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
2-(3,5-dimethylpyrazol-1-yl)benzaldehyde
InChI:
InChI=1S/C12H12N2O/c1-9-7-10(2)14(13-9)12-6-4-3-5-11(12)8-15/h3-8H,1-2H3
InChI Key:
YIEGYLBFGSWHFQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1n1nc(cc1C)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:
2.2
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