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70735-85-2 | 2(3H)-Benzoxazolone, 6-(1-oxobutyl)-
CAS No: 70735-85-2 Catalog No: AG0064RA MDL No:
Product Description
Catalog Number:
AG0064RA
Chemical Name:
2(3H)-Benzoxazolone, 6-(1-oxobutyl)-
CAS Number:
70735-85-2
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
6-butanoyl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C11H11NO3/c1-2-3-9(13)7-4-5-8-10(6-7)15-11(14)12-8/h4-6H,2-3H2,1H3,(H,12,14)
InChI Key:
WRZHCJAMRKTKNK-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc2c(c1)oc(=O)[nH]2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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