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123771-02-8 | 2-Furancarboxylic acid, 5-(2-carboxyphenoxy)-
CAS No: 123771-02-8 Catalog No: AG000L2M MDL No:
Product Description
Catalog Number:
AG000L2M
Chemical Name:
2-Furancarboxylic acid, 5-(2-carboxyphenoxy)-
CAS Number:
123771-02-8
Molecular Formula:
C12H8O6
Molecular Weight:
248.1883
IUPAC Name:
5-(2-carboxyphenoxy)furan-2-carboxylic acid
InChI:
InChI=1S/C12H8O6/c13-11(14)7-3-1-2-4-8(7)17-10-6-5-9(18-10)12(15)16/h1-6H,(H,13,14)(H,15,16)
InChI Key:
QCQSFVVYJHGCKP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)Oc1ccccc1C(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.19g/mol
Monoisotopic Mass:
248.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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