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87287-41-0 | 6,7-DIHYDRO-5H-BENZO[D]ISOXAZOL-4-ONE
CAS No: 87287-41-0 Catalog No: AG003N0X MDL No:MFCD09054892
Product Description
Catalog Number:
AG003N0X
Chemical Name:
6,7-DIHYDRO-5H-BENZO[D]ISOXAZOL-4-ONE
CAS Number:
87287-41-0
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD09054892
IUPAC Name:
6,7-dihydro-5H-1,2-benzoxazol-4-one
InChI:
InChI=1S/C7H7NO2/c9-6-2-1-3-7-5(6)4-8-10-7/h4H,1-3H2
InChI Key:
NCEXOPJPDKFRMS-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cno2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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