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Home Other Building Blocks Methyl 4-ethoxybenzoate

Methyl 4-ethoxybenzoate

CAS No.:
23676-08-6
Catalog Number:
AG002O4O
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
95%
1 week
United States
$135
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Product Description
Catalog Number:
AG002O4O
Chemical Name:
Methyl 4-ethoxybenzoate
CAS Number:
23676-08-6
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00017264
IUPAC Name:
methyl 4-ethoxybenzoate
InChI:
InChI=1S/C10H12O3/c1-3-13-9-6-4-8(5-7-9)10(11)12-2/h4-7H,3H2,1-2H3
InChI Key:
RNHXTCZZACTEMK-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(=O)OC
EC Number:
245-817-5
NSC Number:
8378
Properties
Complexity:
160  
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:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Efficient synthesis of apricoxib, CS-706, a selective cyclooxygenase-2 inhibitor, and evaluation of inhibition of prostaglandin E2 production in inflammatory breast cancer cells. Bioorganic & medicinal chemistry letters 20111015
Orientational isomerism controlled by the difference in electronic environments of a self-assembling heterodimeric capsule. The Journal of organic chemistry 20070427
Properties