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820237-66-9 | Benzaldehyde, 2-[4-(acetyloxy)butoxy]-3-methyl-4-propoxy-
CAS No: 820237-66-9 Catalog No: AG008KCV MDL No:
Product Description
Catalog Number:
AG008KCV
Chemical Name:
Benzaldehyde, 2-[4-(acetyloxy)butoxy]-3-methyl-4-propoxy-
CAS Number:
820237-66-9
Molecular Formula:
C17H24O5
Molecular Weight:
308.3695
IUPAC Name:
4-(6-formyl-2-methyl-3-propoxyphenoxy)butyl acetate
InChI:
InChI=1S/C17H24O5/c1-4-9-21-16-8-7-15(12-18)17(13(16)2)22-11-6-5-10-20-14(3)19/h7-8,12H,4-6,9-11H2,1-3H3
InChI Key:
OAFKUUDTRIGNGL-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1C)OCCCCOC(=O)C)C=O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.162g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.374g/mol
Monoisotopic Mass:
308.162g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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