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1262410-80-9 | 1,3-Azetidinedicarboxylic acid, 3-ethyl-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS No: 1262410-80-9 Catalog No: AG000SDY MDL No:MFCD18374998
Product Description
Catalog Number:
AG000SDY
Chemical Name:
1,3-Azetidinedicarboxylic acid, 3-ethyl-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS Number:
1262410-80-9
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD18374998
IUPAC Name:
1-O-tert-butyl 3-O-methyl 3-ethylazetidine-1,3-dicarboxylate
InChI:
InChI=1S/C12H21NO4/c1-6-12(9(14)16-5)7-13(8-12)10(15)17-11(2,3)4/h6-8H2,1-5H3
InChI Key:
LHACCRIHIILPJP-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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