Name: Name:1,4-Oxazepine-2-carboxylic acid, hexahydro-4-(phenylmethyl)-
Brand: Angene
SKU: AG000APQ
Rating: 90 (10 reviews)

1,4-Oxazepine-2-carboxylic acid, hexahydro-4-(phenylmethyl)-

CAS No.:

1141669-59-1

Catalog Number:

AG000APQ

Molecular Formula:

C13H17NO3

Molecular Weight:

235.2790

Catalog Number:

AG000APQ

Chemical Name:

1,4-Oxazepine-2-carboxylic acid, hexahydro-4-(phenylmethyl)-

CAS Number:

1141669-59-1

Molecular Formula:

C13H17NO3

Molecular Weight:

235.2790

MDL Number:

MFCD11656814

IUPAC Name:

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

InChI:

InChI=1S/C13H17NO3/c15-13(16)12-10-14(7-4-8-17-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)

InChI Key:

QMPCKMUMSFXJQD-UHFFFAOYSA-N

SMILES:

OC(=O)C1OCCCN(C1)Cc1ccccc1

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.283g/mol

Monoisotopic Mass:

235.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9