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145027-96-9 | 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-propoxy-
CAS No: 145027-96-9 Catalog No: AG001KH8 MDL No:MFCD09744039
Product Description
Catalog Number:
AG001KH8
Chemical Name:
3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-propoxy-
CAS Number:
145027-96-9
Molecular Formula:
C6H11N3O2
Molecular Weight:
157.1704
MDL Number:
MFCD09744039
IUPAC Name:
4-methyl-3-propoxy-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C6H11N3O2/c1-3-4-11-6-8-7-5(10)9(6)2/h3-4H2,1-2H3,(H,7,10)
InChI Key:
HSOFIFZZCZLBFE-UHFFFAOYSA-N
SMILES:
Cn1c(OCCC)n[nH]c1=O
EC Number:
809-941-9
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.085g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.173g/mol
Monoisotopic Mass:
157.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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