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89-71-4 | Methyl 2-methylbenzoate
CAS No: 89-71-4 Catalog No: AG0036A1 MDL No:MFCD00008428
Product Description
Catalog Number:
AG0036A1
Chemical Name:
Methyl 2-methylbenzoate
CAS Number:
89-71-4
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD00008428
IUPAC Name:
methyl 2-methylbenzoate
InChI:
InChI=1S/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3
InChI Key:
WVWZECQNFWFVFW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1C
EC Number:
201-932-2
UNII:
MC8KDB9FUW
NSC Number:
9402
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 |
|---|---|
| Protecting group free synthesis of 6-substituted naphthols and binols. | The Journal of organic chemistry 20110401 |
| Glass transition in binary eutectic systems: best glass-forming composition. | The journal of physical chemistry. B 20100923 |
| Structural relaxation dynamics in binary glass-forming molecular liquids with ideal and complex mixing behavior. | The journal of physical chemistry. B 20100318 |
| Identification of a highly efficient alkylated pincer thioimido-palladium(II) complex as the active catalyst in Negishi coupling. | Chemistry (Weinheim an der Bergstrasse, Germany) 20090101 |
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