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Home > Aldehydes > 138116-08-2
138116-08-2 | Benzaldehyde, 2-(acetyloxy)-5-ethoxy-
CAS No: 138116-08-2 Catalog No: AG00180O MDL No:
Product Description
Catalog Number:
AG00180O
Chemical Name:
Benzaldehyde, 2-(acetyloxy)-5-ethoxy-
CAS Number:
138116-08-2
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
(4-ethoxy-2-formylphenyl) acetate
InChI:
InChI=1S/C11H12O4/c1-3-14-10-4-5-11(15-8(2)13)9(6-10)7-12/h4-7H,3H2,1-2H3
InChI Key:
BCVGMKBXKLJOFB-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)C=O)OC(=O)C
Properties
Complexity:
227
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:
1.5
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