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178315-30-5 | 4H-Cyclohept[d]isoxazol-4-one,5-hydroxy-(9CI)
CAS No: 178315-30-5 Catalog No: AG00B1ML MDL No:
Product Description
Catalog Number:
AG00B1ML
Chemical Name:
4H-Cyclohept[d]isoxazol-4-one,5-hydroxy-(9CI)
CAS Number:
178315-30-5
IUPAC Name:
5-hydroxycyclohepta[d][1,2]oxazol-4-one
InChI:
InChI=1S/C8H5NO3/c10-6-2-1-3-7-5(8(6)11)4-9-12-7/h1-4H,(H,10,11)
InChI Key:
DLAWIMDABQVRRE-UHFFFAOYSA-N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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