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935-91-1 | 5,6,7,8-Tetrahydro-4H-cyclohepta[d]isoxazol-3-ol
CAS No: 935-91-1 Catalog No: AG0061ZF MDL No:MFCD22689286
Product Description
Catalog Number:
AG0061ZF
Chemical Name:
5,6,7,8-Tetrahydro-4H-cyclohepta[d]isoxazol-3-ol
CAS Number:
935-91-1
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD22689286
IUPAC Name:
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-one
InChI:
InChI=1S/C8H11NO2/c10-8-6-4-2-1-3-5-7(6)11-9-8/h1-5H2,(H,9,10)
InChI Key:
UJYRNWXAKZKIOW-UHFFFAOYSA-N
SMILES:
Oc1noc2c1CCCCC2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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