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Home > Aldehydes > 1006490-05-6
1006490-05-6 | 1H-Pyrazole-4-carboxaldehyde, 3-cyclopropyl-1-ethyl-
CAS No: 1006490-05-6 Catalog No: AG0002KJ MDL No:MFCD04970941
Product Description
Catalog Number:
AG0002KJ
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-cyclopropyl-1-ethyl-
CAS Number:
1006490-05-6
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD04970941
IUPAC Name:
3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H12N2O/c1-2-11-5-8(6-12)9(10-11)7-3-4-7/h5-7H,2-4H2,1H3
InChI Key:
SRBJGELFBYXQIZ-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C1CC1)CC
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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