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155204-08-3 | 1,2-Benzisoxazole-3-methanamine
CAS No: 155204-08-3 Catalog No: AG001NQD MDL No:MFCD19205016
Product Description
Catalog Number:
AG001NQD
Chemical Name:
1,2-Benzisoxazole-3-methanamine
CAS Number:
155204-08-3
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD19205016
IUPAC Name:
1,2-benzoxazol-3-ylmethanamine
InChI:
InChI=1S/C8H8N2O/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-4H,5,9H2
InChI Key:
NJPJEUXBRLCEDZ-UHFFFAOYSA-N
SMILES:
NCc1noc2c1cccc2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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