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114274-39-4 | 1,3-Benzenedicarboxylic acid, 5-(phenylmethoxy)-
CAS No: 114274-39-4 Catalog No: AG000AXR MDL No:
Product Description
Catalog Number:
AG000AXR
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-(phenylmethoxy)-
CAS Number:
114274-39-4
Molecular Formula:
C15H12O5
Molecular Weight:
272.2528
IUPAC Name:
5-phenylmethoxybenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C15H12O5/c16-14(17)11-6-12(15(18)19)8-13(7-11)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)(H,18,19)
InChI Key:
IUVPKFJCXNRPIJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(OCc2ccccc2)cc(c1)C(=O)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.256g/mol
Monoisotopic Mass:
272.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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