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140448-92-6 | Benzoic acid, formyl-, 2-[2-(acetyloxy)ethoxy]ethyl ester (9CI)
CAS No: 140448-92-6 Catalog No: AG001CG2 MDL No:
Product Description
Catalog Number:
AG001CG2
Chemical Name:
Benzoic acid, formyl-, 2-[2-(acetyloxy)ethoxy]ethyl ester (9CI)
CAS Number:
140448-92-6
Molecular Formula:
C14H16O6
Molecular Weight:
280.2732
IUPAC Name:
2-(2-acetyloxyethoxy)ethyl 2-formylbenzoate
InChI:
InChI=1S/C14H16O6/c1-11(16)19-8-6-18-7-9-20-14(17)13-5-3-2-4-12(13)10-15/h2-5,10H,6-9H2,1H3
InChI Key:
YQHWGJWJGAHLRG-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1C(=O)OCCOCCOC(=O)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.276g/mol
Monoisotopic Mass:
280.095g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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