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Home > Aldehydes > 1378657-41-0
1378657-41-0 | 3-[(Allyloxy)methyl]benzaldehyde
CAS No: 1378657-41-0 Catalog No: AG01FEO9 MDL No:
Product Description
Catalog Number:
AG01FEO9
Chemical Name:
3-[(Allyloxy)methyl]benzaldehyde
CAS Number:
1378657-41-0
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
3-(prop-2-enoxymethyl)benzaldehyde
InChI:
InChI=1S/C11H12O2/c1-2-6-13-9-11-5-3-4-10(7-11)8-12/h2-5,7-8H,1,6,9H2
InChI Key:
JHWJMMWLDZFDQV-UHFFFAOYSA-N
SMILES:
C=CCOCc1cccc(c1)C=O
Properties
Complexity:
166
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:
1.7
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