Name: Name:4-(tert-butoxycarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxylic acid
Brand: Angene
SKU: AG0090H4
Rating: 90 (10 reviews)

4-(tert-butoxycarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxylic acid

CAS No.:

1142210-79-4

Catalog Number:

AG0090H4

Molecular Formula:

C15H19NO5

Molecular Weight:

293.3151

Catalog Number:

AG0090H4

Chemical Name:

4-(tert-butoxycarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxylic acid

CAS Number:

1142210-79-4

Molecular Formula:

C15H19NO5

Molecular Weight:

293.3151

MDL Number:

MFCD12028381

IUPAC Name:

4-[(2-methylpropan-2-yl)oxycarbonyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxylic acid

InChI:

InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-6-7-20-12-5-4-10(13(17)18)8-11(12)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)

InChI Key:

DSHOQJKFXSQKPD-UHFFFAOYSA-N

SMILES:

O=C(N1CCOc2c(C1)cc(cc2)C(=O)O)OC(C)(C)C

Complexity:

403

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

293.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

293.319g/mol

Monoisotopic Mass:

293.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9