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Home > Aldehydes > 819051-59-7
819051-59-7 | Benzaldehyde, 4-[4-(acetyloxy)butoxy]-
CAS No: 819051-59-7 Catalog No: AG00566V MDL No:
Product Description
Catalog Number:
AG00566V
Chemical Name:
Benzaldehyde, 4-[4-(acetyloxy)butoxy]-
CAS Number:
819051-59-7
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
4-(4-formylphenoxy)butyl acetate
InChI:
InChI=1S/C13H16O4/c1-11(15)16-8-2-3-9-17-13-6-4-12(10-14)5-7-13/h4-7,10H,2-3,8-9H2,1H3
InChI Key:
QFRMMULZKDGVCK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCCCCOC(=O)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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