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Home Aldehydes (S)-Hydratropaldehyde

(S)-Hydratropaldehyde

CAS No.:
33530-47-1
Catalog Number:
AG00CL7G
Molecular Formula:
C9H10O
Molecular Weight:
134.1751
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Product Description
Catalog Number:
AG00CL7G
Chemical Name:
(S)-Hydratropaldehyde
CAS Number:
33530-47-1
Molecular Formula:
C9H10O
Molecular Weight:
134.1751
MDL Number:
MFCD24673692
IUPAC Name:
(2S)-2-phenylpropanal
InChI:
InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3/t8-/m1/s1
InChI Key:
IQVAERDLDAZARL-MRVPVSSYSA-N
SMILES:
O=C[C@H](c1ccccc1)C
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
134.073g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.178g/mol
Monoisotopic Mass:
134.073g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Stability and comparative metabolism of selected felbamate metabolites and postulated fluorofelbamate metabolites by postmitochondrial suspensions. Chemical research in toxicology 20051201
Investigating the role of 2-phenylpropenal in felbamate-induced idiosyncratic drug reactions. Chemical research in toxicology 20041201
Interaction between human serum albumin and the felbamate metabolites 4-Hydroxy-5-phenyl-[1,3]oxazinan-2-one and 2-phenylpropenal. Chemical research in toxicology 20020601
Role of glutathione S-transferases A1-1, M1-1, and P1-1 in the detoxification of 2-phenylpropenal, a reactive felbamate metabolite. Chemical research in toxicology 20010501
Properties