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73727-30-7 | Ethanol, 2-[2-(acetyloxy)ethoxy]-, benzoate
CAS No: 73727-30-7 Catalog No: AG008Q9R MDL No:
Product Description
Catalog Number:
AG008Q9R
Chemical Name:
Ethanol, 2-[2-(acetyloxy)ethoxy]-, benzoate
CAS Number:
73727-30-7
Molecular Formula:
C13H18O6
Molecular Weight:
270.2784
IUPAC Name:
benzoic acid;2-(2-hydroxyethoxy)ethyl acetate
InChI:
InChI=1S/C7H6O2.C6H12O4/c8-7(9)6-4-2-1-3-5-6;1-6(8)10-5-4-9-3-2-7/h1-5H,(H,8,9);7H,2-5H2,1H3
InChI Key:
YSWRHIYNDGBQQT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1.OCCOCCOC(=O)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.281g/mol
Monoisotopic Mass:
270.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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