Home Carboxes 100861-38-9
100861-38-9,MFCD06208114
Catalog No.:AA0002ZC
100861-38-9 | (3-Methoxy-4-methylphenyl)acetic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$301.00   $211.00
- +
500mg
95.0%
3 weeks  
$516.00   $361.00
- +
1g
95.0%
3 weeks  
$676.00   $473.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0002ZC
Chemical Name:
(3-Methoxy-4-methylphenyl)acetic acid
CAS Number:
100861-38-9
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD06208114
IUPAC Name:
2-(3-methoxy-4-methylphenyl)acetic acid
InChI:
InChI=1S/C10H12O3/c1-7-3-4-8(6-10(11)12)5-9(7)13-2/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:
XCHVZBMNFXWCTR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C)CC(=O)O
Properties
Computed Properties
 
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
2-(3-methoxy-4-methylphenyl)acetic acid 
100861-38-9 
CTK3J9316 
DTXSID00429333 
XCHVZBMNFXWCTR-UHFFFAOYSA-N 
ZINC7989020 
CM-271 
MFCD06208114 
AKOS008073080 
MCULE-8778372805 
NE13111 
(3-methoxy-4-methyl-phenyl)-acetic acid 
(3-methoxy-4-methylphenyl)acetic acid 
AJ-57268 
BS-13778 
SC-71293 
RT-005476 
EN300-24066 
CID9118390 
2-(3-Methoxy-4-methylphenyl)aceticacid 
2-(3-methoxy-4-methyl-phenyl)acetic Acid 
3-Methoxy-4-methylphenylacetic acid 
Benzeneacetic acid,3-methoxy-4-methyl- 
Benzeneacetic acid, 3-methoxy-4-methyl- 
AC1PKYW0 
ACMC-1BNO7 
AC1Q44PQ 
SCHEMBL1010618 
Literature
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