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7673-93-0 | 2H-1,2,3-Triazole-4-carboxylicacid, 5-methyl-2-phenyl-, methyl ester
CAS No: 7673-93-0 Catalog No: AG005IIB MDL No:MFCD00052547
Product Description
Catalog Number:
AG005IIB
Chemical Name:
2H-1,2,3-Triazole-4-carboxylicacid, 5-methyl-2-phenyl-, methyl ester
CAS Number:
7673-93-0
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD00052547
IUPAC Name:
methyl 5-methyl-2-phenyltriazole-4-carboxylate
InChI:
InChI=1S/C11H11N3O2/c1-8-10(11(15)16-2)13-14(12-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChI Key:
LJHCIHCDLVYSDC-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn(nc1C)c1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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