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101000-95-7 | Benzo[b]thiophen-3(2H)-one, 2-[(4-methoxyphenyl)methylene]-, (2Z)-
CAS No: 101000-95-7 Catalog No: AG0003HA MDL No:
Product Description
Catalog Number:
AG0003HA
Chemical Name:
Benzo[b]thiophen-3(2H)-one, 2-[(4-methoxyphenyl)methylene]-, (2Z)-
CAS Number:
101000-95-7
Molecular Formula:
C16H12O2S
Molecular Weight:
268.3303
IUPAC Name:
2-[(4-methoxyphenyl)methylidene]-1-benzothiophen-3-one
InChI:
InChI=1S/C16H12O2S/c1-18-12-8-6-11(7-9-12)10-15-16(17)13-4-2-3-5-14(13)19-15/h2-10H,1H3
InChI Key:
DTKZJSCQDPXIJP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/1\Sc2c(C1=O)cccc2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.33g/mol
Monoisotopic Mass:
268.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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