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Home > Other Heterocycles > 89653-94-1
89653-94-1 | Carbonic acid, 2-ethoxyethyl1-(6-methyl-1,4-dithiaspiro[4.4]non-6-en-7-yl)ethyl ester
CAS No: 89653-94-1 Catalog No: AG00450J MDL No:
Product Description
Catalog Number:
AG00450J
Chemical Name:
Carbonic acid, 2-ethoxyethyl1-(6-methyl-1,4-dithiaspiro[4.4]non-6-en-7-yl)ethyl ester
CAS Number:
89653-94-1
Molecular Formula:
C15H23O4S2-
Molecular Weight:
331.4707
IUPAC Name:
[4-ethoxy-1-(9-methyl-1,4-dithiaspiro[4.4]non-8-en-8-yl)butyl] carbonate
InChI:
InChI=1S/C15H24O4S2/c1-3-18-8-4-5-13(19-14(16)17)12-6-7-15(11(12)2)20-9-10-21-15/h13H,3-10H2,1-2H3,(H,16,17)/p-1
InChI Key:
WUJQBOGNJGXNBZ-UHFFFAOYSA-M
SMILES:
CCOCCCC(C1=C(C)C2(CC1)SCCS2)OC(=O)[O-]
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.104g/mol
Formal Charge:
-1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.465g/mol
Monoisotopic Mass:
331.104g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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