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82430-18-0 | 3-Thiazolidineheptanoic acid, 4-formyl-2-oxo-, ethyl ester, (S)-
CAS No: 82430-18-0 Catalog No: AG004WQX MDL No:
Product Description
Catalog Number:
AG004WQX
Chemical Name:
3-Thiazolidineheptanoic acid, 4-formyl-2-oxo-, ethyl ester, (S)-
CAS Number:
82430-18-0
Molecular Formula:
C13H21NO4S
Molecular Weight:
287.3751
IUPAC Name:
ethyl 7-[(4S)-4-formyl-2-oxo-1,3-thiazolidin-3-yl]heptanoate
InChI:
InChI=1S/C13H21NO4S/c1-2-18-12(16)7-5-3-4-6-8-14-11(9-15)10-19-13(14)17/h9,11H,2-8,10H2,1H3/t11-/m0/s1
InChI Key:
SESIAMXGKLSVMP-NSHDSACASA-N
SMILES:
CCOC(=O)CCCCCCN1[C@@H](C=O)CSC1=O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
287.119g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.374g/mol
Monoisotopic Mass:
287.119g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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