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1258628-34-0 | Benzoic acid, 3-(1,3-benzodioxol-5-yl)-5-hydroxy-
CAS No: 1258628-34-0 Catalog No: AG000OUR MDL No:MFCD18086730
Product Description
Catalog Number:
AG000OUR
Chemical Name:
Benzoic acid, 3-(1,3-benzodioxol-5-yl)-5-hydroxy-
CAS Number:
1258628-34-0
Molecular Formula:
C14H10O5
Molecular Weight:
258.2262
MDL Number:
MFCD18086730
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-5-hydroxybenzoic acid
InChI:
InChI=1S/C14H10O5/c15-11-4-9(3-10(5-11)14(16)17)8-1-2-12-13(6-8)19-7-18-12/h1-6,15H,7H2,(H,16,17)
InChI Key:
QHBLBWCMEKOGNS-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1)C(=O)O)c1ccc2c(c1)OCO2
Properties
Complexity:
345
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:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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