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85455-66-9 | 2-THIENYLMETHYL BENZOATE
CAS No: 85455-66-9 Catalog No: AG004SAZ MDL No:
Product Description
Catalog Number:
AG004SAZ
Chemical Name:
2-THIENYLMETHYL BENZOATE
CAS Number:
85455-66-9
Molecular Formula:
C12H10O2S
Molecular Weight:
218.2716
IUPAC Name:
thiophen-2-ylmethyl benzoate
InChI:
InChI=1S/C12H10O2S/c13-12(10-5-2-1-3-6-10)14-9-11-7-4-8-15-11/h1-8H,9H2
InChI Key:
QFKZQXHPVSHDMJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OCc1cccs1
EC Number:
287-300-7
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.27g/mol
Monoisotopic Mass:
218.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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