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128453-98-5 | 3,4-Thiomorpholinedicarboxylic acid, 4-(1,1-dimethylethyl) ester
CAS No: 128453-98-5 Catalog No: AG000Y3Z MDL No:MFCD02683067
Product Description
Catalog Number:
AG000Y3Z
Chemical Name:
3,4-Thiomorpholinedicarboxylic acid, 4-(1,1-dimethylethyl) ester
CAS Number:
128453-98-5
Molecular Formula:
C10H16NO4S-
Molecular Weight:
246.3033
MDL Number:
MFCD02683067
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-3-carboxylic acid
InChI:
InChI=1S/C10H17NO4S/c1-10(2,3)15-9(14)11-4-5-16-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChI Key:
CTDIKDIZNAGMFK-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CSCCN1C(=O)OC(C)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.309g/mol
Monoisotopic Mass:
247.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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