200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1174020-52-0
1174020-52-0 | 1,4-Oxazepine-4(5H)-carboxylic acid, tetrahydro-2-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 1174020-52-0 Catalog No: AG000E88 MDL No:MFCD14585015
Product Description
Catalog Number:
AG000E88
Chemical Name:
1,4-Oxazepine-4(5H)-carboxylic acid, tetrahydro-2-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
1174020-52-0
Molecular Formula:
C11H21NO4
Molecular Weight:
231.2887
MDL Number:
MFCD14585015
IUPAC Name:
tert-butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
InChI:
InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-5-4-6-15-9(7-12)8-13/h9,13H,4-8H2,1-3H3
InChI Key:
WBAQNCJUTMXJTK-UHFFFAOYSA-N
SMILES:
OCC1OCCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.292g/mol
Monoisotopic Mass:
231.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.