Name: Name:1,4-Oxazepine-2,4(5H)-dicarboxylic acid, tetrahydro-, 4-(phenylmethyl) ester
Brand: Angene
SKU: AG000APO
Rating: 90 (10 reviews)

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

CAS No.:

1141669-63-7

Catalog Number:

AG000APO

Molecular Formula:

C14H16NO5-

Molecular Weight:

278.2805

Catalog Number:

AG000APO

Chemical Name:

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

CAS Number:

1141669-63-7

Molecular Formula:

C14H16NO5-

Molecular Weight:

278.2805

MDL Number:

MFCD11656816

IUPAC Name:

4-phenylmethoxycarbonyl-1,4-oxazepane-2-carboxylic acid

InChI:

InChI=1S/C14H17NO5/c16-13(17)12-9-15(7-4-8-19-12)14(18)20-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,17)

InChI Key:

AJQVXDQJBBKRTD-UHFFFAOYSA-N

SMILES:

[O-]C(=O)C1OCCCN(C1)C(=O)OCc1ccccc1

Complexity:

341

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.292g/mol

Monoisotopic Mass:

279.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2