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146300-69-8 | 1,3-Benzodioxole-5-carboxylic acid, 7-hydroxy-2,2-diphenyl-
CAS No: 146300-69-8 Catalog No: AG001DVB MDL No:
Product Description
Catalog Number:
AG001DVB
Chemical Name:
1,3-Benzodioxole-5-carboxylic acid, 7-hydroxy-2,2-diphenyl-
CAS Number:
146300-69-8
Molecular Formula:
C20H14O5
Molecular Weight:
334.3222
IUPAC Name:
7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid
InChI:
InChI=1S/C20H14O5/c21-16-11-13(19(22)23)12-17-18(16)25-20(24-17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,21H,(H,22,23)
InChI Key:
IAOVDNCSKYDMQC-UHFFFAOYSA-N
SMILES:
Oc1cc(cc2c1OC(O2)(c1ccccc1)c1ccccc1)C(=O)O
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.084g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.327g/mol
Monoisotopic Mass:
334.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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