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87149-79-9 | 4-Isoxazolamine, 3-(2,2-dimethoxyethyl)-
CAS No: 87149-79-9 Catalog No: AG004OBS MDL No:
Product Description
Catalog Number:
AG004OBS
Chemical Name:
4-Isoxazolamine, 3-(2,2-dimethoxyethyl)-
CAS Number:
87149-79-9
Molecular Formula:
C7H12N2O3
Molecular Weight:
172.1818
IUPAC Name:
3-(2,2-dimethoxyethyl)-1,2-oxazol-4-amine
InChI:
InChI=1S/C7H12N2O3/c1-10-7(11-2)3-6-5(8)4-12-9-6/h4,7H,3,8H2,1-2H3
InChI Key:
YKCKIEIEDKOPNO-UHFFFAOYSA-N
SMILES:
COC(Cc1nocc1N)OC
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.184g/mol
Monoisotopic Mass:
172.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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