Home Other Building Blocks 4-methyl-2-phenylpentanal

4-methyl-2-phenylpentanal

CAS No.:
911806-53-6
Catalog Number:
AG01BH5X
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
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Product Description
Catalog Number:
AG01BH5X
Chemical Name:
4-methyl-2-phenylpentanal
CAS Number:
911806-53-6
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD20862543
IUPAC Name:
4-methyl-2-phenylpentanal
InChI:
InChI=1S/C12H16O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChI Key:
MXDVKULGFNGWCF-UHFFFAOYSA-N
SMILES:
O=CC(c1ccccc1)CC(C)C
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties