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1148044-27-2 | 1,2-Azetidinedicarboxylic acid, 2-(2-oxoethyl)-, 1-(1,1-dimethylethyl) 2-methyl ester
CAS No: 1148044-27-2 Catalog No: AG000F8O MDL No:MFCD18207022
Product Description
Catalog Number:
AG000F8O
Chemical Name:
1,2-Azetidinedicarboxylic acid, 2-(2-oxoethyl)-, 1-(1,1-dimethylethyl) 2-methyl ester
CAS Number:
1148044-27-2
Molecular Formula:
C12H19NO5
Molecular Weight:
257.2830
MDL Number:
MFCD18207022
IUPAC Name:
1-O-tert-butyl 2-O-methyl 2-(2-oxoethyl)azetidine-1,2-dicarboxylate
InChI:
InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-7-5-12(13,6-8-14)9(15)17-4/h8H,5-7H2,1-4H3
InChI Key:
UJABNRTXRMMUMS-UHFFFAOYSA-N
SMILES:
O=CCC1(CCN1C(=O)OC(C)(C)C)C(=O)OC
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.286g/mol
Monoisotopic Mass:
257.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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