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1148044-26-1 | 1,2-Azetidinedicarboxylic acid, 2-(3-methyl-2-buten-1-yl)-, 1-(1,1-dimethylethyl) 2-methyl ester
CAS No: 1148044-26-1 Catalog No: AG000F8P MDL No:MFCD18207021
Product Description
Catalog Number:
AG000F8P
Chemical Name:
1,2-Azetidinedicarboxylic acid, 2-(3-methyl-2-buten-1-yl)-, 1-(1,1-dimethylethyl) 2-methyl ester
CAS Number:
1148044-26-1
Molecular Formula:
C15H25NO4
Molecular Weight:
283.3633
MDL Number:
MFCD18207021
IUPAC Name:
1-O-tert-butyl 2-O-methyl 2-(3-methylbut-2-enyl)azetidine-1,2-dicarboxylate
InChI:
InChI=1S/C15H25NO4/c1-11(2)7-8-15(12(17)19-6)9-10-16(15)13(18)20-14(3,4)5/h7H,8-10H2,1-6H3
InChI Key:
KPFHNMOVCKQGLX-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC=C(C)C)CCN1C(=O)OC(C)(C)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.368g/mol
Monoisotopic Mass:
283.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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