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99-36-5 | Methyl 3-methylbenzoate
CAS No: 99-36-5 Catalog No: AG003RT1 MDL No:MFCD00008436
Product Description
Catalog Number:
AG003RT1
Chemical Name:
Methyl 3-methylbenzoate
CAS Number:
99-36-5
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD00008436
IUPAC Name:
methyl 3-methylbenzoate
InChI:
InChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3
InChI Key:
CPXCDEMFNPKOEF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)C
EC Number:
202-753-2
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:
0
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Structural relaxation dynamics in binary glass-forming molecular liquids with ideal and complex mixing behavior. | The journal of physical chemistry. B 20100318 |
| Enthalpy and dielectric relaxations in supercooled methyl m-toluate. | The Journal of chemical physics 20090528 |
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