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89248-88-4 | 4-Thiazolidineheptanoic acid, 2-oxo-, methyl ester
CAS No: 89248-88-4 Catalog No: AG00882K MDL No:
Product Description
Catalog Number:
AG00882K
Chemical Name:
4-Thiazolidineheptanoic acid, 2-oxo-, methyl ester
CAS Number:
89248-88-4
Molecular Formula:
C11H19NO3S
Molecular Weight:
245.3385
IUPAC Name:
methyl 7-(2-oxo-1,3-thiazolidin-4-yl)heptanoate
InChI:
InChI=1S/C11H19NO3S/c1-15-10(13)7-5-3-2-4-6-9-8-16-11(14)12-9/h9H,2-8H2,1H3,(H,12,14)
InChI Key:
XJBKYXGEXLOERX-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCC1CSC(=O)N1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.109g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.337g/mol
Monoisotopic Mass:
245.109g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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