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Home > Aldehydes > 1015845-83-6
1015845-83-6 | 1H-Pyrazole-4-carboxaldehyde, 1-[4-(1-methylethyl)phenyl]-
CAS No: 1015845-83-6 Catalog No: AG0004V5 MDL No:MFCD08691536
Product Description
Catalog Number:
AG0004V5
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1-[4-(1-methylethyl)phenyl]-
CAS Number:
1015845-83-6
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD08691536
IUPAC Name:
1-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C13H14N2O/c1-10(2)12-3-5-13(6-4-12)15-8-11(9-16)7-14-15/h3-10H,1-2H3
InChI Key:
WNMZTFXCGJBJIV-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)c1ccc(cc1)C(C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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