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27772-90-3 | 1,2-Benzisoxazol-3(2H)-one, 4,5,6,7-tetrahydro-
CAS No: 27772-90-3 Catalog No: AG002UP3 MDL No:MFCD11100457
Product Description
Catalog Number:
AG002UP3
Chemical Name:
1,2-Benzisoxazol-3(2H)-one, 4,5,6,7-tetrahydro-
CAS Number:
27772-90-3
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD11100457
IUPAC Name:
4,5,6,7-tetrahydro-1,2-benzoxazol-3-one
InChI:
InChI=1S/C7H9NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H2,(H,8,9)
InChI Key:
INECCWXQRVOTEG-UHFFFAOYSA-N
SMILES:
O=c1[nH]oc2c1CCCC2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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