Home Aldehydes 3-Phenylbutyraldehyde

3-Phenylbutyraldehyde

CAS No.:
16251-77-7
Catalog Number:
AG001T7E
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$103
- +
100g
95%
In Stock USA
United States
$169
- +
Product Description
Catalog Number:
AG001T7E
Chemical Name:
3-Phenylbutyraldehyde
CAS Number:
16251-77-7
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
MDL Number:
MFCD00010698
IUPAC Name:
3-phenylbutanal
InChI:
InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChI Key:
MYHGOWDLVRDUFA-UHFFFAOYSA-N
SMILES:
O=CCC(c1ccccc1)C
EC Number:
240-362-9
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:
1.9  
Literature
Title Journal
Inversion of stereoselectivity by applying mutants of the hydroxynitrile lyase from Manihot esculenta. Chembiochem : a European journal of chemical biology 20050401
Properties