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13830-99-4 | 2-Propenoic acid, 3,3'-thiobis-, 1,1'-dimethyl ester
CAS No: 13830-99-4 Catalog No: AG0018H6 MDL No:
Product Description
Catalog Number:
AG0018H6
Chemical Name:
2-Propenoic acid, 3,3'-thiobis-, 1,1'-dimethyl ester
CAS Number:
13830-99-4
Molecular Formula:
C8H10O4S
Molecular Weight:
202.2276
IUPAC Name:
methyl 3-(3-methoxy-3-oxoprop-1-enyl)sulfanylprop-2-enoate
InChI:
InChI=1S/C8H10O4S/c1-11-7(9)3-5-13-6-4-8(10)12-2/h3-6H,1-2H3
InChI Key:
HVMQICOARZGTLQ-UHFFFAOYSA-N
SMILES:
COC(=O)C=CSC=CC(=O)OC
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.224g/mol
Monoisotopic Mass:
202.03g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.4
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