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1089327-13-8 | 2-Benzoxazolinone hydrate
CAS No: 1089327-13-8 Catalog No: AG01EH5R MDL No:
Product Description
Catalog Number:
AG01EH5R
Chemical Name:
2-Benzoxazolinone hydrate
CAS Number:
1089327-13-8
IUPAC Name:
3H-1,3-benzoxazol-2-one;hydrate
InChI:
InChI=1S/C7H5NO2.H2O/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);1H2
InChI Key:
YOJMLQFFPIKVPF-UHFFFAOYSA-N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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