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1272758-40-3 | 1,4-Oxazepine-4(5H)-carboxylic acid, tetrahydro-6-hydroxy-, 1,1-dimethylethyl ester
CAS No: 1272758-40-3 Catalog No: AG000WVF MDL No:MFCD18711407
Product Description
Catalog Number:
AG000WVF
Chemical Name:
1,4-Oxazepine-4(5H)-carboxylic acid, tetrahydro-6-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
1272758-40-3
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
MDL Number:
MFCD18711407
IUPAC Name:
tert-butyl 6-hydroxy-1,4-oxazepane-4-carboxylate
InChI:
InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(12)6-11/h8,12H,4-7H2,1-3H3
InChI Key:
HFIKYUQRVQDAKC-UHFFFAOYSA-N
SMILES:
OC1COCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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