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159749-28-7 | 1,2-Azetidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester
CAS No: 159749-28-7 Catalog No: AG001RDR MDL No:MFCD01861756
Product Description
Catalog Number:
AG001RDR
Chemical Name:
1,2-Azetidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester
CAS Number:
159749-28-7
Molecular Formula:
C9H14NO4-
Molecular Weight:
200.2118
MDL Number:
MFCD01861756
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
InChI:
InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)
InChI Key:
JWJVSDZKYYXDDN-UHFFFAOYSA-N
SMILES:
O=C(N1CCC1C(=O)[O-])OC(C)(C)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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