Home Other Building Blocks Benzenebutanoic acid, 4-methoxy-, methyl ester

Benzenebutanoic acid, 4-methoxy-, methyl ester

CAS No.:
20637-08-5
Catalog Number:
AG002IGU
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002IGU
Chemical Name:
Benzenebutanoic acid, 4-methoxy-, methyl ester
CAS Number:
20637-08-5
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD09835999
IUPAC Name:
methyl 4-(4-methoxyphenyl)butanoate
InChI:
InChI=1S/C12H16O3/c1-14-11-8-6-10(7-9-11)4-3-5-12(13)15-2/h6-9H,3-5H2,1-2H3
InChI Key:
FEZIYDSIDIJXQH-UHFFFAOYSA-N
SMILES:
COC(=O)CCCc1ccc(cc1)OC
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties