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2060-64-2 | 1-BENZOTHIOPHENE-5-CARBOXYLIC ACID
CAS No: 2060-64-2 Catalog No: AG002AGV MDL No:MFCD04974042
Product Description
Catalog Number:
AG002AGV
Chemical Name:
1-BENZOTHIOPHENE-5-CARBOXYLIC ACID
CAS Number:
2060-64-2
Molecular Formula:
C9H6O2S
Molecular Weight:
178.2077
MDL Number:
MFCD04974042
IUPAC Name:
1-benzothiophene-5-carboxylic acid
InChI:
InChI=1S/C9H6O2S/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H,(H,10,11)
InChI Key:
SNBYTKLWZRHESA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ccs2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.205g/mol
Monoisotopic Mass:
178.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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