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1011479-76-7 | 1,3,3-Azetidinetricarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 1011479-76-7 Catalog No: AG0003U0 MDL No:MFCD18374994
Product Description
Catalog Number:
AG0003U0
Chemical Name:
1,3,3-Azetidinetricarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
1011479-76-7
Molecular Formula:
C12H18NO6-
Molecular Weight:
272.2744
MDL Number:
MFCD18374994
IUPAC Name:
3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
InChI:
InChI=1S/C12H19NO6/c1-5-18-9(16)12(8(14)15)6-13(7-12)10(17)19-11(2,3)4/h5-7H2,1-4H3,(H,14,15)
InChI Key:
RCWFRIPIIZSBEJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CN(C1)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.285g/mol
Monoisotopic Mass:
273.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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