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1004-64-4 | 4,5,6,7-Tetrahydrobenzo[d]isoxazol-3-ylaMine
CAS No: 1004-64-4 Catalog No: AG0001WS MDL No:MFCD19205004
Product Description
Catalog Number:
AG0001WS
Chemical Name:
4,5,6,7-Tetrahydrobenzo[d]isoxazol-3-ylaMine
CAS Number:
1004-64-4
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD19205004
IUPAC Name:
4,5,6,7-tetrahydro-1,2-benzoxazol-3-amine
InChI:
InChI=1S/C7H10N2O/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H2,(H2,8,9)
InChI Key:
YTMJNWHCBGFYPZ-UHFFFAOYSA-N
SMILES:
Nc1noc2c1CCCC2
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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