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89723-37-5 | Benzoic acid, 3-(2-ethyl-1,3-dioxolan-2-yl)-2-hydroxy-
CAS No: 89723-37-5 Catalog No: AG004312 MDL No:
Product Description
Catalog Number:
AG004312
Chemical Name:
Benzoic acid, 3-(2-ethyl-1,3-dioxolan-2-yl)-2-hydroxy-
CAS Number:
89723-37-5
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
IUPAC Name:
3-(2-ethyl-1,3-dioxolan-2-yl)-2-hydroxybenzoic acid
InChI:
InChI=1S/C12H14O5/c1-2-12(16-6-7-17-12)9-5-3-4-8(10(9)13)11(14)15/h3-5,13H,2,6-7H2,1H3,(H,14,15)
InChI Key:
BFTCXKLPOIZBIM-UHFFFAOYSA-N
SMILES:
CCC1(OCCO1)c1cccc(c1O)C(=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:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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