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885268-34-8 | Benzoicacid, 2-amino-5-(3-thienyl)-
CAS No: 885268-34-8 Catalog No: AG0048F2 MDL No:MFCD06409306
Product Description
Catalog Number:
AG0048F2
Chemical Name:
Benzoicacid, 2-amino-5-(3-thienyl)-
CAS Number:
885268-34-8
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD06409306
IUPAC Name:
2-amino-5-thiophen-3-ylbenzoic acid
InChI:
InChI=1S/C11H9NO2S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6H,12H2,(H,13,14)
InChI Key:
OWVZDKVAVIBQIG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1N)c1cscc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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