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10241-10-8 | Benzoic acid, 2-hydroxy-5-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]-
CAS No: 10241-10-8 Catalog No: AG0007E5 MDL No:
Product Description
Catalog Number:
AG0007E5
Chemical Name:
Benzoic acid, 2-hydroxy-5-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]-
CAS Number:
10241-10-8
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
IUPAC Name:
2-hydroxy-5-(2-methylprop-2-enoyloxymethyl)benzoic acid
InChI:
InChI=1S/C12H12O5/c1-7(2)12(16)17-6-8-3-4-10(13)9(5-8)11(14)15/h3-5,13H,1,6H2,2H3,(H,14,15)
InChI Key:
ZUCDVJARLQWQLD-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCc1ccc(c(c1)C(=O)O)O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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