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Home > Aldehydes > 1552769-33-1
1552769-33-1 | 4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-carbaldehyde
CAS No: 1552769-33-1 Catalog No: AG01BM5Z MDL No:
Product Description
Catalog Number:
AG01BM5Z
Chemical Name:
4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-carbaldehyde
CAS Number:
1552769-33-1
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
IUPAC Name:
4-(4-methoxyphenyl)-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C10H9N3O2/c1-15-9-4-2-8(3-5-9)13-7-11-12-10(13)6-14/h2-7H,1H3
InChI Key:
LQZDGRKHAZKZDM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1cnnc1C=O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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