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141210-19-7 | Propanedioic acid, 2-[(2-methyl-1,3-dithian-2-yl)methyl]-, 1,3-dimethyl ester
CAS No: 141210-19-7 Catalog No: AG001G1W MDL No:
Product Description
Catalog Number:
AG001G1W
Chemical Name:
Propanedioic acid, 2-[(2-methyl-1,3-dithian-2-yl)methyl]-, 1,3-dimethyl ester
CAS Number:
141210-19-7
Molecular Formula:
C11H18O4S2
Molecular Weight:
278.3882
IUPAC Name:
dimethyl 2-[(2-methyl-1,3-dithian-2-yl)methyl]propanedioate
InChI:
InChI=1S/C11H18O4S2/c1-11(16-5-4-6-17-11)7-8(9(12)14-2)10(13)15-3/h8H,4-7H2,1-3H3
InChI Key:
LHIITRZBYYHSNR-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)CC1(C)SCCCS1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.381g/mol
Monoisotopic Mass:
278.065g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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