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100005-68-3 | Benzoic acid, 4-(2-furanyloxy)-, ethyl ester
CAS No: 100005-68-3 Catalog No: AG00009W MDL No:
Product Description
Catalog Number:
AG00009W
Chemical Name:
Benzoic acid, 4-(2-furanyloxy)-, ethyl ester
CAS Number:
100005-68-3
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
IUPAC Name:
ethyl 4-(furan-2-yloxy)benzoate
InChI:
InChI=1S/C13H12O4/c1-2-15-13(14)10-5-7-11(8-6-10)17-12-4-3-9-16-12/h3-9H,2H2,1H3
InChI Key:
UPFFITZHQRLBOF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)Oc1ccco1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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