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15791-89-6 | Benzoic acid, 3,3'-oxybis-
CAS No: 15791-89-6 Catalog No: AG001PT9 MDL No:
Product Description
Catalog Number:
AG001PT9
Chemical Name:
Benzoic acid, 3,3'-oxybis-
CAS Number:
15791-89-6
Molecular Formula:
C14H10O5
Molecular Weight:
258.2262
IUPAC Name:
3-(3-carboxyphenoxy)benzoic acid
InChI:
InChI=1S/C14H10O5/c15-13(16)9-3-1-5-11(7-9)19-12-6-2-4-10(8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChI Key:
ZFCNECLRCWFTLI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Oc1cccc(c1)C(=O)O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.053g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.229g/mol
Monoisotopic Mass:
258.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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