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13999-39-8 | 3-Amino-4,5-dimethylisoxazole
CAS No: 13999-39-8 Catalog No: AG003IV5 MDL No:MFCD03411577
Product Description
Catalog Number:
AG003IV5
Chemical Name:
3-Amino-4,5-dimethylisoxazole
CAS Number:
13999-39-8
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD03411577
IUPAC Name:
4,5-dimethyl-1,2-oxazol-3-amine
InChI:
InChI=1S/C5H8N2O/c1-3-4(2)8-7-5(3)6/h1-2H3,(H2,6,7)
InChI Key:
VPANVNSDJSUFEF-UHFFFAOYSA-N
SMILES:
Nc1noc(c1C)C
EC Number:
237-802-7
Properties
Complexity:
86.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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