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89517-72-6 | 2-Butanone, 3-(1,3-dioxolan-2-yl)-3-methyl-1-(1H-1,2,4-triazol-1-yl)-
CAS No: 89517-72-6 Catalog No: AG0040VR MDL No:
Product Description
Catalog Number:
AG0040VR
Chemical Name:
2-Butanone, 3-(1,3-dioxolan-2-yl)-3-methyl-1-(1H-1,2,4-triazol-1-yl)-
CAS Number:
89517-72-6
Molecular Formula:
C10H15N3O3
Molecular Weight:
225.2444
IUPAC Name:
3-(1,3-dioxolan-2-yl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-one
InChI:
InChI=1S/C10H15N3O3/c1-10(2,9-15-3-4-16-9)8(14)5-13-7-11-6-12-13/h6-7,9H,3-5H2,1-2H3
InChI Key:
XDCQHEVQJDNHNM-UHFFFAOYSA-N
SMILES:
O=C(C(C1OCCO1)(C)C)Cn1ncnc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.248g/mol
Monoisotopic Mass:
225.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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