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933721-75-6

933721-75-6 | 1-(Isoxazol-5-yl);ethanamine

CAS No: 933721-75-6 Catalog No: AG006G7N MDL No:MFCD09997823

Product Description

Catalog Number:
AG006G7N
Chemical Name:
1-(Isoxazol-5-yl);ethanamine
CAS Number:
933721-75-6
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD09997823
IUPAC Name:
1-(1,2-oxazol-5-yl)ethanamine
InChI:
InChI=1S/C5H8N2O/c1-4(6)5-2-3-7-8-5/h2-4H,6H2,1H3
InChI Key:
NEUUDZFNGAFNIO-UHFFFAOYSA-N
SMILES:
CC(c1ccno1)N

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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

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