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2439-43-2

2439-43-2 | Benzeneacetaldehyde, a-ethyl-

CAS No: 2439-43-2 Catalog No: AG006VAM MDL No:MFCD09835587

Product Description

Catalog Number:
AG006VAM
Chemical Name:
Benzeneacetaldehyde, a-ethyl-
CAS Number:
2439-43-2
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
MDL Number:
MFCD09835587
IUPAC Name:
2-phenylbutanal
InChI:
InChI=1S/C10H12O/c1-2-9(8-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key:
DIBSCKQIZZVKMG-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)C=O
NSC Number:
37492

Properties

Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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