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124064-21-7 | Benzoic acid, 4-(2-oxoethoxy)-, methyl ester
CAS No: 124064-21-7 Catalog No: AG000LJ3 MDL No:
Product Description
Catalog Number:
AG000LJ3
Chemical Name:
Benzoic acid, 4-(2-oxoethoxy)-, methyl ester
CAS Number:
124064-21-7
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
IUPAC Name:
methyl 4-(2-oxoethoxy)benzoate
InChI:
InChI=1S/C10H10O4/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h2-6H,7H2,1H3
InChI Key:
UGTJBWORQZARFE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)OCC=O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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