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1152909-04-0 | 1-tert-butyl-3-(3-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CAS No: 1152909-04-0 Catalog No: AG019ZTQ MDL No:MFCD11900014
Product Description
Catalog Number:
AG019ZTQ
Chemical Name:
1-tert-butyl-3-(3-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1152909-04-0
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
MDL Number:
MFCD11900014
IUPAC Name:
1-tert-butyl-3-(3-methoxyphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C15H18N2O2/c1-15(2,3)17-9-12(10-18)14(16-17)11-6-5-7-13(8-11)19-4/h5-10H,1-4H3
InChI Key:
SWYXDFYTAAYADP-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1cccc(c1)OC)C(C)(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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