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Home > Aldehydes > 126748-87-6
126748-87-6 | 1-methyl-1H-1,2,4-triazole-3-carbaldehyde
CAS No: 126748-87-6 Catalog No: AG01C2NP MDL No:MFCD24685442
Product Description
Catalog Number:
AG01C2NP
Chemical Name:
1-methyl-1H-1,2,4-triazole-3-carbaldehyde
CAS Number:
126748-87-6
Molecular Formula:
C4H5N3O
Molecular Weight:
111.1020
MDL Number:
MFCD24685442
IUPAC Name:
1-methyl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C4H5N3O/c1-7-3-5-4(2-8)6-7/h2-3H,1H3
InChI Key:
NLBSACQGJDXXNQ-UHFFFAOYSA-N
SMILES:
O=Cc1ncn(n1)C
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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