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72766-02-0 | METHYL 2,3,4,5-TETRAHYDRO-5-OXO-1,4-BENZOXAZEPINE-7-ACETATE
CAS No: 72766-02-0 Catalog No: AG005F49 MDL No:
Product Description
Catalog Number:
AG005F49
Chemical Name:
METHYL 2,3,4,5-TETRAHYDRO-5-OXO-1,4-BENZOXAZEPINE-7-ACETATE
CAS Number:
72766-02-0
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
methyl 2-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)acetate
InChI:
InChI=1S/C12H13NO4/c1-16-11(14)7-8-2-3-10-9(6-8)12(15)13-4-5-17-10/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChI Key:
HUIXFVSBBMWVRZ-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc2c(c1)C(=O)NCCO2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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