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Home > Aldehydes > 198759-16-9
198759-16-9 | Benzeneacetaldehyde, α-methylene-4-(1-methylethyl)-
CAS No: 198759-16-9 Catalog No: AG002BPZ MDL No:
Product Description
Catalog Number:
AG002BPZ
Chemical Name:
Benzeneacetaldehyde, α-methylene-4-(1-methylethyl)-
CAS Number:
198759-16-9
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
2-(4-propan-2-ylphenyl)prop-2-enal
InChI:
InChI=1S/C12H14O/c1-9(2)11-4-6-12(7-5-11)10(3)8-13/h4-9H,3H2,1-2H3
InChI Key:
UUOJCVAXXPLPRJ-UHFFFAOYSA-N
SMILES:
O=CC(=C)c1ccc(cc1)C(C)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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