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30415-28-2 | 2-Thiophenecarboxylic acid, 3-(1-naphthalenyl)-
CAS No: 30415-28-2 Catalog No: AG00301Q MDL No:
Product Description
Catalog Number:
AG00301Q
Chemical Name:
2-Thiophenecarboxylic acid, 3-(1-naphthalenyl)-
CAS Number:
30415-28-2
Molecular Formula:
C15H10O2S
Molecular Weight:
254.3037
IUPAC Name:
3-naphthalen-1-ylthiophene-2-carboxylic acid
InChI:
InChI=1S/C15H10O2S/c16-15(17)14-13(8-9-18-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17)
InChI Key:
BAQGBODNNCUJCL-UHFFFAOYSA-N
SMILES:
OC(=O)c1sccc1c1cccc2c1cccc2
UNII:
7Z54ME4XAQ
NSC Number:
149685
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.303g/mol
Monoisotopic Mass:
254.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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