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70735-86-3 | 6-(2-methylpropanoyl)-2,3-dihydro-1,3-benzoxazol-2-one
CAS No: 70735-86-3 Catalog No: AG01EJV4 MDL No:MFCD11211452
Product Description
Catalog Number:
AG01EJV4
Chemical Name:
6-(2-methylpropanoyl)-2,3-dihydro-1,3-benzoxazol-2-one
CAS Number:
70735-86-3
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD11211452
IUPAC Name:
6-(2-methylpropanoyl)-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C11H11NO3/c1-6(2)10(13)7-3-4-8-9(5-7)15-11(14)12-8/h3-6H,1-2H3,(H,12,14)
InChI Key:
OINVUOULQDNSJV-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1ccc2c(c1)oc(=O)[nH]2)C
Properties
Complexity:
288
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:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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