Home Carboxys 1,4-Oxazepine-2,4(5H)-dicarboxylic acid, tetrahydro-, 2-methyl 4-(phenylmethyl) ester

1,4-Oxazepine-2,4(5H)-dicarboxylic acid, tetrahydro-, 2-methyl 4-(phenylmethyl) ester

CAS No.:
1226776-84-6
Catalog Number:
AG0017LK
Molecular Formula:
C15H19NO5
Molecular Weight:
293.3151
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Product Description
Catalog Number:
AG0017LK
Chemical Name:
1,4-Oxazepine-2,4(5H)-dicarboxylic acid, tetrahydro-, 2-methyl 4-(phenylmethyl) ester
CAS Number:
1226776-84-6
Molecular Formula:
C15H19NO5
Molecular Weight:
293.3151
MDL Number:
MFCD16495878
IUPAC Name:
4-O-benzyl 2-O-methyl 1,4-oxazepane-2,4-dicarboxylate
InChI:
InChI=1S/C15H19NO5/c1-19-14(17)13-10-16(8-5-9-20-13)15(18)21-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChI Key:
FPWQZFRFYFDZAN-UHFFFAOYSA-N
SMILES:
COC(=O)C1OCCCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.126g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.319g/mol
Monoisotopic Mass:
293.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties