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Home > Aldehydes > 105534-98-3
105534-98-3 | Benzaldehyde, 4-(3-butenyloxy)-
CAS No: 105534-98-3 Catalog No: AG007EG6 MDL No:
Product Description
Catalog Number:
AG007EG6
Chemical Name:
Benzaldehyde, 4-(3-butenyloxy)-
CAS Number:
105534-98-3
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
4-but-3-enoxybenzaldehyde
InChI:
InChI=1S/C11H12O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h2,4-7,9H,1,3,8H2
InChI Key:
KVSJLYYSVJWFED-UHFFFAOYSA-N
SMILES:
C=CCCOc1ccc(cc1)C=O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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