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139458-29-0 | 4-Isoxazolemethanamine, 5-methyl-
CAS No: 139458-29-0 Catalog No: AG001B1M MDL No:MFCD26954768
Product Description
Catalog Number:
AG001B1M
Chemical Name:
4-Isoxazolemethanamine, 5-methyl-
CAS Number:
139458-29-0
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD26954768
IUPAC Name:
(5-methyl-1,2-oxazol-4-yl)methanamine
InChI:
InChI=1S/C5H8N2O/c1-4-5(2-6)3-7-8-4/h3H,2,6H2,1H3
InChI Key:
ZRIIZUYEXSYUNH-UHFFFAOYSA-N
SMILES:
Cc1oncc1CN
Properties
Complexity:
76.8
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:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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