200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1256633-21-2
1256633-21-2 | 1,4-Oxazepine-4(5H)-carboxylic acid, tetrahydro-2-(hydroxymethyl)-, phenylmethyl ester
CAS No: 1256633-21-2 Catalog No: AG000OA8 MDL No:MFCD18071031
Product Description
Catalog Number:
AG000OA8
Chemical Name:
1,4-Oxazepine-4(5H)-carboxylic acid, tetrahydro-2-(hydroxymethyl)-, phenylmethyl ester
CAS Number:
1256633-21-2
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD18071031
IUPAC Name:
benzyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
InChI:
InChI=1S/C14H19NO4/c16-10-13-9-15(7-4-8-18-13)14(17)19-11-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2
InChI Key:
GBFMGKGLICBMMI-UHFFFAOYSA-N
SMILES:
OCC1OCCCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.