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1255098-50-0 | 3,4-Morpholinedicarboxylic acid, 6,6-dimethyl-, 4-(1,1-dimethylethyl) ester
CAS No: 1255098-50-0 Catalog No: AG000NS4 MDL No:MFCD11053523
Product Description
Catalog Number:
AG000NS4
Chemical Name:
3,4-Morpholinedicarboxylic acid, 6,6-dimethyl-, 4-(1,1-dimethylethyl) ester
CAS Number:
1255098-50-0
Molecular Formula:
C12H20NO5-
Molecular Weight:
258.2909
MDL Number:
MFCD11053523
IUPAC Name:
6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
InChI:
InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-7-12(4,5)17-6-8(13)9(14)15/h8H,6-7H2,1-5H3,(H,14,15)
InChI Key:
AAEZKWUAXIQWAS-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1COC(CN1C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.302g/mol
Monoisotopic Mass:
259.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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