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893735-30-3 | Benzoic acid,3-(5-acetyl-2-thienyl)-
CAS No: 893735-30-3 Catalog No: AG003YUU MDL No:
Product Description
Catalog Number:
AG003YUU
Chemical Name:
Benzoic acid,3-(5-acetyl-2-thienyl)-
CAS Number:
893735-30-3
Molecular Formula:
C13H10O4S
Molecular Weight:
262.2811
IUPAC Name:
3-(3-methoxycarbonylthiophen-2-yl)benzoic acid
InChI:
InChI=1S/C13H10O4S/c1-17-13(16)10-5-6-18-11(10)8-3-2-4-9(7-8)12(14)15/h2-7H,1H3,(H,14,15)
InChI Key:
BCEXOEQMCXJREV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccsc1c1cccc(c1)C(=O)O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.279g/mol
Monoisotopic Mass:
262.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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