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49855-03-0,MFCD00045943
Catalog No.:AA003HZN
49855-03-0 | 3-(3-Methoxyphenoxy)propionic acid
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1g
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5g
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Technical Information
Catalog Number:
AA003HZN
Chemical Name:
3-(3-Methoxyphenoxy)propionic acid
CAS Number:
49855-03-0
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00045943
IUPAC Name:
3-(3-methoxyphenoxy)propanoic acid
InChI:
InChI=1S/C10H12O4/c1-13-8-3-2-4-9(7-8)14-6-5-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChI Key:
JKTUZDBNDYMNLO-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)OCCC(=O)O
Properties
Computed Properties
 
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
3-(3-Methoxyphenoxy)propionic Acid 
49855-03-0 
DTXSID60409550 
3-(3-Methoxyphenoxy)propionicAcid 
ZINC4257832 
5640AJ 
ANW-30860 
MFCD00045943 
AKOS000131942 
MCULE-6807230641 
TRA0035940 
AJ-49793 
3-(3-methoxyphenoxy)propanoic Acid 
AS-31597 
SY008351 
AB0059725 
DB-051697 
TC-119605 
FT-0639890 
M1692 
K-9249 
MFCD00045943 (97+%) 
SR-01000395293 
Propanoic acid, 3-(3-methoxyphenoxy)- 
SR-01000395293-1 
I14-20197 
Z57772229 
3- propionicacid 
C10H12O4 
CID5201573 
212210-87-2 
PubChem19221 
ACMC-1ASU3 
AC1NPC06 
SCHEMBL5067089 
CTK4J1774 
KS-00000CLM 
Literature
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