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99651-37-3 | 1-METHYL-1H-1,2,4-TRIAZOLE-5-CARBALDEHYDE
CAS No: 99651-37-3 Catalog No: AG01BFID MDL No:MFCD12400823
Product Description
Catalog Number:
AG01BFID
Chemical Name:
1-METHYL-1H-1,2,4-TRIAZOLE-5-CARBALDEHYDE
CAS Number:
99651-37-3
MDL Number:
MFCD12400823
IUPAC Name:
2-methyl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C4H5N3O/c1-7-4(2-8)5-3-6-7/h2-3H,1H3
InChI Key:
OJBNZAZUTPLWDT-UHFFFAOYSA-N
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.104g/mol
Monoisotopic Mass:
111.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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