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763026-39-7 | 1,2-Benzisoxazole-3-ethanamine
CAS No: 763026-39-7 Catalog No: AG0056EY MDL No:MFCD18804956
Product Description
Catalog Number:
AG0056EY
Chemical Name:
1,2-Benzisoxazole-3-ethanamine
CAS Number:
763026-39-7
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD18804956
IUPAC Name:
2-(1,2-benzoxazol-3-yl)ethanamine
InChI:
InChI=1S/C9H10N2O/c10-6-5-8-7-3-1-2-4-9(7)12-11-8/h1-4H,5-6,10H2
InChI Key:
RZYHISJCGQYICX-UHFFFAOYSA-N
SMILES:
NCCc1noc2c1cccc2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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