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23046-03-9

23046-03-9 | Benzo[b]thiophene-2-carboxylic acid, 5,6-dimethoxy-

CAS No: 23046-03-9 Catalog No: AG002LZF MDL No:MFCD08275132

Product Description

Catalog Number:
AG002LZF
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 5,6-dimethoxy-
CAS Number:
23046-03-9
Molecular Formula:
C11H10O4S
Molecular Weight:
238.2597
MDL Number:
MFCD08275132
IUPAC Name:
5,6-dimethoxy-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C11H10O4S/c1-14-7-3-6-4-10(11(12)13)16-9(6)5-8(7)15-2/h3-5H,1-2H3,(H,12,13)
InChI Key:
LIZUZUKHOVUSNS-UHFFFAOYSA-N
SMILES:
COc1cc2sc(cc2cc1OC)C(=O)O
NSC Number:
108922

Properties

Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.03g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.257g/mol
Monoisotopic Mass:
238.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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