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Home > Aldehydes > 777940-98-4
777940-98-4 | 4-Thiazolidinecarboxaldehyde, 2-oxo-3-(phenylmethyl)-, (4R)-, sulfite(1:1)
CAS No: 777940-98-4 Catalog No: AG005RQO MDL No:
Product Description
Catalog Number:
AG005RQO
Chemical Name:
4-Thiazolidinecarboxaldehyde, 2-oxo-3-(phenylmethyl)-, (4R)-, sulfite(1:1)
CAS Number:
777940-98-4
Molecular Formula:
C11H13NO5S2
Molecular Weight:
303.3546
IUPAC Name:
(4R)-3-benzyl-2-oxo-1,3-thiazolidine-4-carbaldehyde;sulfurous acid
InChI:
InChI=1S/C11H11NO2S.H2O3S/c13-7-10-8-15-11(14)12(10)6-9-4-2-1-3-5-9;1-4(2)3/h1-5,7,10H,6,8H2;(H2,1,2,3)/t10-;/m1./s1
InChI Key:
XOQYBBFCMMBWID-HNCPQSOCSA-N
SMILES:
OS(=O)O.O=C[C@@H]1CSC(=O)N1Cc1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
303.024g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.347g/mol
Monoisotopic Mass:
303.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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