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475295-36-4 | 6-sulfanyl-2,3-dihydro-1,3-benzoxazol-2-one
CAS No: 475295-36-4 Catalog No: AG01A994 MDL No:MFCD11102945
Product Description
Catalog Number:
AG01A994
Chemical Name:
6-sulfanyl-2,3-dihydro-1,3-benzoxazol-2-one
CAS Number:
475295-36-4
Molecular Formula:
C7H5NO2S
Molecular Weight:
167.1851
MDL Number:
MFCD11102945
IUPAC Name:
6-sulfanyl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C7H5NO2S/c9-7-8-5-2-1-4(11)3-6(5)10-7/h1-3,11H,(H,8,9)
InChI Key:
UXLKVBHYQPWICV-UHFFFAOYSA-N
SMILES:
Sc1ccc2c(c1)oc(=O)[nH]2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.182g/mol
Monoisotopic Mass:
167.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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