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191096-42-1 | 2H-1,4-Benzoxazin-3(4H)-one, 2-(2-hydroxyethyl)-6-methyl-
CAS No: 191096-42-1 Catalog No: AG002F18 MDL No:MFCD03848651
Product Description
Catalog Number:
AG002F18
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 2-(2-hydroxyethyl)-6-methyl-
CAS Number:
191096-42-1
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD03848651
IUPAC Name:
2-(2-hydroxyethyl)-6-methyl-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C11H13NO3/c1-7-2-3-9-8(6-7)12-11(14)10(15-9)4-5-13/h2-3,6,10,13H,4-5H2,1H3,(H,12,14)
InChI Key:
RKSCTEOJOHXKNC-UHFFFAOYSA-N
SMILES:
OCCC1Oc2ccc(cc2NC1=O)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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