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2-phenylpentanal

CAS No.:
21765-78-6
Catalog Number:
AG01A42E
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
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Product Description
Catalog Number:
AG01A42E
Chemical Name:
2-phenylpentanal
CAS Number:
21765-78-6
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD19301167
IUPAC Name:
2-phenylpentanal
InChI:
InChI=1S/C11H14O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h3-5,7-9,11H,2,6H2,1H3
InChI Key:
UIXIZFIUMREAFZ-UHFFFAOYSA-N
SMILES:
CCCC(c1ccccc1)C=O
Properties
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties