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13054-47-2 | 2,1-Benzisoxazol-3-amine, 4,5,6,7-tetrahydro-
CAS No: 13054-47-2 Catalog No: AG000UM3 MDL No:MFCD06255135
Product Description
Catalog Number:
AG000UM3
Chemical Name:
2,1-Benzisoxazol-3-amine, 4,5,6,7-tetrahydro-
CAS Number:
13054-47-2
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD06255135
IUPAC Name:
4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
InChI:
InChI=1S/C7H10N2O/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4,8H2
InChI Key:
CRGVRAUXLNRYKJ-UHFFFAOYSA-N
SMILES:
Nc1onc2c1CCCC2
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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