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102740-19-2 | Benzoic acid, 2-ethyl-4-hydroxy-5-methyl-, ethyl ester
CAS No: 102740-19-2 Catalog No: AG00089M MDL No:
Product Description
Catalog Number:
AG00089M
Chemical Name:
Benzoic acid, 2-ethyl-4-hydroxy-5-methyl-, ethyl ester
CAS Number:
102740-19-2
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
ethyl 2-ethyl-4-hydroxy-5-methylbenzoate
InChI:
InChI=1S/C12H16O3/c1-4-9-7-11(13)8(3)6-10(9)12(14)15-5-2/h6-7,13H,4-5H2,1-3H3
InChI Key:
FDCJXJPKZQLBAQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)c(cc1CC)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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