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88791-03-1 | Carbamothioic acid, dimethyl-, O-(2-formyl-6-methoxyphenyl) ester
CAS No: 88791-03-1 Catalog No: AG004AWY MDL No:
Product Description
Catalog Number:
AG004AWY
Chemical Name:
Carbamothioic acid, dimethyl-, O-(2-formyl-6-methoxyphenyl) ester
CAS Number:
88791-03-1
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
IUPAC Name:
O-(2-formyl-6-methoxyphenyl) N,N-dimethylcarbamothioate
InChI:
InChI=1S/C11H13NO3S/c1-12(2)11(16)15-10-8(7-13)5-4-6-9(10)14-3/h4-7H,1-3H3
InChI Key:
ZKFRHDWZZPGQRA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OC(=S)N(C)C)C=O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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