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1171924-45-0 | 2-Methoxy-6-(2-thiophen-2-yl-vinyl)-benzoic acid methyl ester
CAS No: 1171924-45-0 Catalog No: AG00JS5A MDL No:
Product Description
Catalog Number:
AG00JS5A
Chemical Name:
2-Methoxy-6-(2-thiophen-2-yl-vinyl)-benzoic acid methyl ester
CAS Number:
1171924-45-0
Molecular Formula:
C15H14O3S
Molecular Weight:
274.3349
IUPAC Name:
methyl 2-methoxy-6-[(E)-2-thiophen-2-ylethenyl]benzoate
InChI:
InChI=1S/C15H14O3S/c1-17-13-7-3-5-11(14(13)15(16)18-2)8-9-12-6-4-10-19-12/h3-10H,1-2H3/b9-8+
InChI Key:
AQOZDKDUZBMCOB-CMDGGOBGSA-N
SMILES:
COC(=O)c1c(cccc1OC)/C=C/c1cccs1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
274.066g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.334g/mol
Monoisotopic Mass:
274.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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