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30409-52-0 | 3-Thiophenecarboxylic acid, 4-(9-anthracenyl)-
CAS No: 30409-52-0 Catalog No: AG00301A MDL No:
Product Description
Catalog Number:
AG00301A
Chemical Name:
3-Thiophenecarboxylic acid, 4-(9-anthracenyl)-
CAS Number:
30409-52-0
Molecular Formula:
C19H12O2S
Molecular Weight:
304.3624
IUPAC Name:
4-anthracen-9-ylthiophene-3-carboxylic acid
InChI:
InChI=1S/C19H12O2S/c20-19(21)17-11-22-10-16(17)18-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)18/h1-11H,(H,20,21)
InChI Key:
NLJOONPJBMFOKH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cscc1c1c2ccccc2cc2c1cccc2
NSC Number:
241154
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.056g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.363g/mol
Monoisotopic Mass:
304.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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