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Home > Aldehydes > 1025032-18-1
1025032-18-1 | 1H-Pyrazole-3-carboxaldehyde, 5-(2-methylpropyl)-
CAS No: 1025032-18-1 Catalog No: AG0007LW MDL No:MFCD09864235
Product Description
Catalog Number:
AG0007LW
Chemical Name:
1H-Pyrazole-3-carboxaldehyde, 5-(2-methylpropyl)-
CAS Number:
1025032-18-1
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD09864235
IUPAC Name:
5-(2-methylpropyl)-1H-pyrazole-3-carbaldehyde
InChI:
InChI=1S/C8H12N2O/c1-6(2)3-7-4-8(5-11)10-9-7/h4-6H,3H2,1-2H3,(H,9,10)
InChI Key:
DCIFDEWXDNLKEA-UHFFFAOYSA-N
SMILES:
O=Cc1cc([nH]n1)CC(C)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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