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100256-94-8 | Benzoic acid, 4-propoxy-, ethyl ester
CAS No: 100256-94-8 Catalog No: AG0001EU MDL No:
Product Description
Catalog Number:
AG0001EU
Chemical Name:
Benzoic acid, 4-propoxy-, ethyl ester
CAS Number:
100256-94-8
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
ethyl 4-propoxybenzoate
InChI:
InChI=1S/C12H16O3/c1-3-9-15-11-7-5-10(6-8-11)12(13)14-4-2/h5-8H,3-4,9H2,1-2H3
InChI Key:
PMOIVLMXMSZLGY-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C(=O)OCC
Properties
Complexity:
183
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:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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