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124568-48-5 | 1,3-Benzodioxole-5,6-diacetic acid
CAS No: 124568-48-5 Catalog No: AG000ME6 MDL No:
Product Description
Catalog Number:
AG000ME6
Chemical Name:
1,3-Benzodioxole-5,6-diacetic acid
CAS Number:
124568-48-5
Molecular Formula:
C11H10O6
Molecular Weight:
238.1935
IUPAC Name:
2-[6-(carboxymethyl)-1,3-benzodioxol-5-yl]acetic acid
InChI:
InChI=1S/C11H10O6/c12-10(13)3-6-1-8-9(17-5-16-8)2-7(6)4-11(14)15/h1-2H,3-5H2,(H,12,13)(H,14,15)
InChI Key:
MFBRIOCYUHMCBT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc2OCOc2cc1CC(=O)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.195g/mol
Monoisotopic Mass:
238.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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