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1354931-44-4 | 3-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-5-ol
CAS No: 1354931-44-4 Catalog No: AG00JSS8 MDL No:MFCD21334981
Product Description
Catalog Number:
AG00JSS8
Chemical Name:
3-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-5-ol
CAS Number:
1354931-44-4
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
MDL Number:
MFCD21334981
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C10H7NO4/c12-10-4-7(11-15-10)6-1-2-8-9(3-6)14-5-13-8/h1-4,11H,5H2
InChI Key:
KMAUUNSFHANIAB-UHFFFAOYSA-N
SMILES:
Oc1onc(c1)c1ccc2c(c1)OCO2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.169g/mol
Monoisotopic Mass:
205.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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