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4314-68-5,MFCD00046532
Catalog No.:AA003I22
4314-68-5 | 3-(4-Methoxyphenyl)-2-phenylpropanoic acid
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1g
1 week  
$440.00   $308.00
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5g
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$1,502.00   $1,052.00
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10g
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$2,872.00   $2,010.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003I22
Chemical Name:
3-(4-Methoxyphenyl)-2-phenylpropanoic acid
CAS Number:
4314-68-5
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
MDL Number:
MFCD00046532
IUPAC Name:
3-(4-methoxyphenyl)-2-phenylpropanoic acid
InChI:
InChI=1S/C16H16O3/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,17,18)
InChI Key:
GIROORGDVPRQFZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(c1ccccc1)C(=O)O
EC Number:
224-332-2
NSC Number:
33136
Properties
Computed Properties
 
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
4314-68-5 
3-(4-methoxyphenyl)-2-phenylpropanoic acid 
AC1Q4CEV 
AC1L3Z4X 
AC1Q5RV3 
SCHEMBL1716396 
CTK4I7082 
GIROORGDVPRQFZ-UHFFFAOYSA-N 
HMS1683O03 
ALBB-000211 
3287AE 
BDBM50145806 
3-(4-Methoxy-phenyl)-2-phenyl-propionic acid 
NSC-33136 
SBB046326 
STK499930 
AKOS000596402 
AKOS016342076 
FS-5838 
MCULE-3727699727 
BAS 05017178 
Benzenepropanoic acid,4-methoxy-a-phenyl- 
4-Methoxy-alpha-phenylbenzenepropanoic acid 
3-(4-Methoxyphenyl)-2-phenylpropionic acid 
AB0128236 
DB-051038 
TR-040701 
BB 0240582 
FT-0635221 
ST50020826 
3-(4-Methoxyphenyl)-2-phenyl-propanoic acid 
L-2404 
3-(4-Methoxy-phenyl)-2-phenyl-propionic acid 
SR-01000318470 
CHEMBL83949 
3-(p-METHOXYPHENYL)-2- PHENYLPROPIONIC ACID 
SR-01000318470-1 
I14-57528 
Benzenepropanoic acid, 4-methoxy- 
C16H16O3 
CID97739 
3- -2-PHENYL-PROPIONICACID 
AR-1E7035 
C16-H16-O3 
46843-88-3 
MFCD00046532 
F9995-0092 
NSC33136 
EINECS 224-332-2 
ACMC-20anjp 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.

Journal: Journal of medicinal chemistry 20040506

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