Home Aldehydes Benzeneacetaldehyde, a-2-propen-1-yl-

Benzeneacetaldehyde, a-2-propen-1-yl-

CAS No.:
24401-36-3
Catalog Number:
AG007NI7
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
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Product Description
Catalog Number:
AG007NI7
Chemical Name:
Benzeneacetaldehyde, a-2-propen-1-yl-
CAS Number:
24401-36-3
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
MDL Number:
MFCD21608349
IUPAC Name:
2-phenylpent-4-enal
InChI:
InChI=1S/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2
InChI Key:
PBWQZEMADHTUIF-UHFFFAOYSA-N
SMILES:
O=CC(c1ccccc1)CC=C
EC Number:
246-224-4
FEMA Number:
3519
Properties
Complexity:
145  
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:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties