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644-36-0,MFCD00004328
Catalog No.:AA003HNF
644-36-0 | o-Tolylacetic acid
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25g
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HNF
Chemical Name:
o-Tolylacetic acid
CAS Number:
644-36-0
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD00004328
IUPAC Name:
2-(2-methylphenyl)acetic acid
InChI:
InChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
RZWGTXHSYZGXKF-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1C
EC Number:
211-416-9
NSC Number:
16053
Properties
Computed Properties
 
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
o-Tolylacetic acid 
644-36-0 
RZWGTXHSYZGXKF-UHFFFAOYSA-N 
NSC16053 
MFCD00004328 
o-Tolyacetic acid 
toluene-acetic acid 
EINECS 211-416-9 
o-tolyl acetic acid 
Toluol-Eisessig-Wasser 
PubChem20124 
2-Methylphenylaceticacid 
2-Methylphenylacetic acid 
AC1Q2EZD 
AC1Q5VJJ 
2-(Carboxymethyl)toluene 
2-Methylbenzeneacetic acid 
ACMC-1B7JQ 
o-Tolylacetic acid, 99% 
2-methyl-Benzeneacetic acid 
SCHEMBL8285 
ORTHO-TOLYLACETIC ACID 
KSC489O5T 
(2-methylphenyl)acetic acid 
Benzeneacetic acid, 2-methyl- 
AC1L2C22 
BDBM16423 
CTK3I9759 
RZWGTXHSYZGXKF-UHFFFAOYSA- 
DTXSID50214650 
ZINC330698 
BCP25779 
KS-00000MN6 
STR03455 
2-(2-methylphenyl)acetic acid 
ANW-34873 
NSC-16053 
SBB063148 
STL169030 
AKOS000121046 
AC-2856 
AN-1544 
CS-W018151 
FS-1024 
MCULE-2711057842 
2-(o-tolyl)acetic acid 
RP21372 
RTR-022071 
TRA0085973 
VZ33533 
AJ-19327 
AK-45537 
BP-12558 
BR-45537 
SC-23112 
SY003130 
2-o-tolylacetic acid 
o-Tolylacetic acid, ReagentPlus(R), 99% 
AB0010832 
AB1001530 
ST2413633 
TL8004565 
TR-022071 
AM20060902 
FT-0632737 
ST50824223 
MFCD00004328 (98%) 
2-Tolylacetic acid 
C-4556 
AC-509/25002066 
I01-0597 
o-Tolylacetic acid, Vetec(TM) reagent grade, 98% 
W-104841 
F0001-1743 
InChI=1/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) 
C9H10O2 
KST-1A7237 
CID69519 
o-Methylphenylacetic acid 
AR-1A2523 
C9-H10-O2 
o-Tolylacetic acid, 99% - 100G 100g 
T0881 
6627-79-8 
109960-55-6 
614-18-6 
2-methylphenyl acetic acid 
Literature

Title: Synthesis and preliminary biological characterization of new semisynthetic derivatives of ramoplanin.

Journal: Journal of medicinal chemistry 20070628

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