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13031-45-3 | Benzoic acid, 4-(acetyloxy)-, ethyl ester
CAS No: 13031-45-3 Catalog No: AG000UAG MDL No:
Product Description
Catalog Number:
AG000UAG
Chemical Name:
Benzoic acid, 4-(acetyloxy)-, ethyl ester
CAS Number:
13031-45-3
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
ethyl 4-acetyloxybenzoate
InChI:
InChI=1S/C11H12O4/c1-3-14-11(13)9-4-6-10(7-5-9)15-8(2)12/h4-7H,3H2,1-2H3
InChI Key:
ACGYGMKFCVDVHS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)OC(=O)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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