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Benzenebutanal

CAS No.:
18328-11-5
Catalog Number:
AG0027GY
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
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Product Description
Catalog Number:
AG0027GY
Chemical Name:
Benzenebutanal
CAS Number:
18328-11-5
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
MDL Number:
MFCD00800383
IUPAC Name:
4-phenylbutanal
InChI:
InChI=1S/C10H12O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,9H,4-5,8H2
InChI Key:
NHFRGTVSKOPUBK-UHFFFAOYSA-N
SMILES:
O=CCCCc1ccccc1
Properties
Complexity:
103  
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:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Inversion of stereoselectivity by applying mutants of the hydroxynitrile lyase from Manihot esculenta. Chembiochem : a European journal of chemical biology 20050401
Conformationally rigid N-acyl-5-alkyl-L-prolyl-pyrrolidines as prolyl oligopeptidase inhibitors. Bioorganic & medicinal chemistry 20030815
Non-thiol farnesyltransferase inhibitors: structure-activity relationships of aralkylsubstituted benzophenones. Archiv der Pharmazie 20010201
Properties