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644-36-0 | o-Tolylacetic acid
CAS No: 644-36-0 Catalog No: AG003HQ7 MDL No:MFCD00004328
Product Description
Catalog Number:
AG003HQ7
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
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
Literature
| Title | Journal |
|---|---|
| Synthesis and preliminary biological characterization of new semisynthetic derivatives of ramoplanin. | Journal of medicinal chemistry 20070628 |
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