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306936-13-0 | 3-Furancarboxylic acid, 5-(4-chlorophenyl)-2-(1,3-dioxolan-2-yl)-
CAS No: 306936-13-0 Catalog No: AG0030X0 MDL No:
Product Description
Catalog Number:
AG0030X0
Chemical Name:
3-Furancarboxylic acid, 5-(4-chlorophenyl)-2-(1,3-dioxolan-2-yl)-
CAS Number:
306936-13-0
Molecular Formula:
C14H11ClO5
Molecular Weight:
294.6871
IUPAC Name:
5-(4-chlorophenyl)-2-(1,3-dioxolan-2-yl)furan-3-carboxylic acid
InChI:
InChI=1S/C14H11ClO5/c15-9-3-1-8(2-4-9)11-7-10(13(16)17)12(20-11)14-18-5-6-19-14/h1-4,7,14H,5-6H2,(H,16,17)
InChI Key:
FYHSHOIWNAJTMZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1oc(c(c1)C(=O)O)C1OCCO1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.03g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.687g/mol
Monoisotopic Mass:
294.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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