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1141669-61-5 | 1,4-Oxazepine-2,4(5H)-dicarboxylic acid, tetrahydro-, 4-(1,1-dimethylethyl) ester
CAS No: 1141669-61-5 Catalog No: AG000APP MDL No:MFCD11656815
Product Description
Catalog Number:
AG000APP
Chemical Name:
1,4-Oxazepine-2,4(5H)-dicarboxylic acid, tetrahydro-, 4-(1,1-dimethylethyl) ester
CAS Number:
1141669-61-5
Molecular Formula:
C11H18NO5-
Molecular Weight:
244.2643
MDL Number:
MFCD11656815
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-2-carboxylic acid
InChI:
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-5-4-6-16-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChI Key:
YGITYLFOIAYYJU-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1OCCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.275g/mol
Monoisotopic Mass:
245.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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