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207552-67-8 | 6-(hydroxymethyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
CAS No: 207552-67-8 Catalog No: AG01BEBO MDL No:MFCD19646925
Product Description
Catalog Number:
AG01BEBO
Chemical Name:
6-(hydroxymethyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
CAS Number:
207552-67-8
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD19646925
IUPAC Name:
6-(hydroxymethyl)-3-methyl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C9H9NO3/c1-10-7-3-2-6(5-11)4-8(7)13-9(10)12/h2-4,11H,5H2,1H3
InChI Key:
NTKDDPUSWDZXKZ-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)oc(=O)n2C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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