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113630-84-5 | Benzoic acid, 4-(2-hydroxyethoxy)-2-methyl-, ethyl ester
CAS No: 113630-84-5 Catalog No: AG00096Q MDL No:
Product Description
Catalog Number:
AG00096Q
Chemical Name:
Benzoic acid, 4-(2-hydroxyethoxy)-2-methyl-, ethyl ester
CAS Number:
113630-84-5
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
ethyl 4-(2-hydroxyethoxy)-2-methylbenzoate
InChI:
InChI=1S/C12H16O4/c1-3-15-12(14)11-5-4-10(8-9(11)2)16-7-6-13/h4-5,8,13H,3,6-7H2,1-2H3
InChI Key:
WNKNMRGOXFAOAD-UHFFFAOYSA-N
SMILES:
OCCOc1ccc(c(c1)C)C(=O)OCC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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