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646475-12-9 | Benzeneacetaldehyde, 4-(1-propenyl)-
CAS No: 646475-12-9 Catalog No: AG006RNV MDL No:
Product Description
Catalog Number:
AG006RNV
Chemical Name:
Benzeneacetaldehyde, 4-(1-propenyl)-
CAS Number:
646475-12-9
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
2-(4-prop-1-enylphenyl)acetaldehyde
InChI:
InChI=1S/C11H12O/c1-2-3-10-4-6-11(7-5-10)8-9-12/h2-7,9H,8H2,1H3
InChI Key:
IVYIWRLVIJGDNX-UHFFFAOYSA-N
SMILES:
O=CCc1ccc(cc1)C=CC
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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