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857348-51-7 | 3-Isoxazolemethanamine,5-(2-furanyl)-N-methyl-
CAS No: 857348-51-7 Catalog No: AG004YL1 MDL No:MFCD08060509
Product Description
Catalog Number:
AG004YL1
Chemical Name:
3-Isoxazolemethanamine,5-(2-furanyl)-N-methyl-
CAS Number:
857348-51-7
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD08060509
IUPAC Name:
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
InChI:
InChI=1S/C9H10N2O2/c1-10-6-7-5-9(13-11-7)8-3-2-4-12-8/h2-5,10H,6H2,1H3
InChI Key:
CQBVGZVXQOWFHV-UHFFFAOYSA-N
SMILES:
CNCc1noc(c1)c1ccco1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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