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25016-12-0 | 1H-Pyrazole-4-carboxaldehyde, 1,3-dimethyl-
CAS No: 25016-12-0 Catalog No: AG002Q7J MDL No:MFCD00159635
Product Description
Catalog Number:
AG002Q7J
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1,3-dimethyl-
CAS Number:
25016-12-0
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD00159635
IUPAC Name:
1,3-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H8N2O/c1-5-6(4-9)3-8(2)7-5/h3-4H,1-2H3
InChI Key:
IGJREDVLGVEPFI-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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