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1363166-21-5 | 1,4-Oxazepine-2,4(5H)-dicarboxylic acid, tetrahydro-, 4-(1,1-dimethylethyl) 2-ethyl ester
CAS No: 1363166-21-5 Catalog No: AG0011MP MDL No:MFCD21364423
Product Description
Catalog Number:
AG0011MP
Chemical Name:
1,4-Oxazepine-2,4(5H)-dicarboxylic acid, tetrahydro-, 4-(1,1-dimethylethyl) 2-ethyl ester
CAS Number:
1363166-21-5
Molecular Formula:
C13H23NO5
Molecular Weight:
273.3254
MDL Number:
MFCD21364423
IUPAC Name:
4-O-tert-butyl 2-O-ethyl 1,4-oxazepane-2,4-dicarboxylate
InChI:
InChI=1S/C13H23NO5/c1-5-17-11(15)10-9-14(7-6-8-18-10)12(16)19-13(2,3)4/h10H,5-9H2,1-4H3
InChI Key:
NFMNWHFTGYMZQU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1OCCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.329g/mol
Monoisotopic Mass:
273.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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