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Home > Aldehydes > 1083223-99-7
1083223-99-7 | 1,4-DIMETHYL-1H-1,2,3-TRIAZOLE-5-CARBALDEHYDE
CAS No: 1083223-99-7 Catalog No: AG01C9FI MDL No:MFCD10700258
Product Description
Catalog Number:
AG01C9FI
Chemical Name:
1,4-DIMETHYL-1H-1,2,3-TRIAZOLE-5-CARBALDEHYDE
CAS Number:
1083223-99-7
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
MDL Number:
MFCD10700258
IUPAC Name:
3,5-dimethyltriazole-4-carbaldehyde
InChI:
InChI=1S/C5H7N3O/c1-4-5(3-9)8(2)7-6-4/h3H,1-2H3
InChI Key:
MWPMSUQTEIZTST-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nnn1C
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.059g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.131g/mol
Monoisotopic Mass:
125.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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