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27258-33-9 | 1-Methyl-1H-Pyrazole-5-Carbaldehyde
CAS No: 27258-33-9 Catalog No: AG003846 MDL No:MFCD03419801
Product Description
Catalog Number:
AG003846
Chemical Name:
1-Methyl-1H-Pyrazole-5-Carbaldehyde
CAS Number:
27258-33-9
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD03419801
IUPAC Name:
2-methylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C5H6N2O/c1-7-5(4-8)2-3-6-7/h2-4H,1H3
InChI Key:
RAJRANFZSWDUJZ-UHFFFAOYSA-N
SMILES:
Cn1nccc1C=O
Properties
Complexity:
94.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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