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116169-07-4 | Benzoic acid, 3-ethoxy-5-hydroxy-, methyl ester
CAS No: 116169-07-4 Catalog No: AG000BTD MDL No:MFCD20482767
Product Description
Catalog Number:
AG000BTD
Chemical Name:
Benzoic acid, 3-ethoxy-5-hydroxy-, methyl ester
CAS Number:
116169-07-4
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD20482767
IUPAC Name:
methyl 3-ethoxy-5-hydroxybenzoate
InChI:
InChI=1S/C10H12O4/c1-3-14-9-5-7(10(12)13-2)4-8(11)6-9/h4-6,11H,3H2,1-2H3
InChI Key:
OVYWIKNNDSFNHR-UHFFFAOYSA-N
SMILES:
CCOc1cc(O)cc(c1)C(=O)OC
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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