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1565827-87-3 | 7-(2-hydroxyethyl)-2,3-dihydro-1,3-benzoxazol-2-one
CAS No: 1565827-87-3 Catalog No: AG00ITWT MDL No:MFCD26936355
Product Description
Catalog Number:
AG00ITWT
Chemical Name:
7-(2-hydroxyethyl)-2,3-dihydro-1,3-benzoxazol-2-one
CAS Number:
1565827-87-3
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD26936355
IUPAC Name:
7-(2-hydroxyethyl)-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C9H9NO3/c11-5-4-6-2-1-3-7-8(6)13-9(12)10-7/h1-3,11H,4-5H2,(H,10,12)
InChI Key:
BSPDFQNBUWGQRE-UHFFFAOYSA-N
SMILES:
OCCc1cccc2c1oc(=O)[nH]2
Properties
Complexity:
207
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:
2
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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