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879219-73-5 | Carbonic acid, compd. with 2-(1-ethoxyethenyl)thiazolidine (1:1)
CAS No: 879219-73-5 Catalog No: AG004DO2 MDL No:
Product Description
Catalog Number:
AG004DO2
Chemical Name:
Carbonic acid, compd. with 2-(1-ethoxyethenyl)thiazolidine (1:1)
CAS Number:
879219-73-5
Molecular Formula:
C8H15NO4S
Molecular Weight:
221.2740
IUPAC Name:
carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine
InChI:
InChI=1S/C7H13NOS.CH2O3/c1-3-9-6(2)7-8-4-5-10-7;2-1(3)4/h7-8H,2-5H2,1H3;(H2,2,3,4)
InChI Key:
WLQCAFPMWKGGSC-UHFFFAOYSA-N
SMILES:
OC(=O)O.CCOC(=C)C1NCCS1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.271g/mol
Monoisotopic Mass:
221.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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