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Home Carboxys 1-(3,4-Dimethoxyphenyl)cyclopentanecarboxylic acid

1-(3,4-Dimethoxyphenyl)cyclopentanecarboxylic acid

CAS No.:
43129-41-5
Catalog Number:
AG006ZM9
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG006ZM9
Chemical Name:
1-(3,4-Dimethoxyphenyl)cyclopentanecarboxylic acid
CAS Number:
43129-41-5
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
MDL Number:
MFCD00439345
IUPAC Name:
1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C14H18O4/c1-17-11-6-5-10(9-12(11)18-2)14(13(15)16)7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)
InChI Key:
XKZPEWPCGQOEIS-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C1(CCCC1)C(=O)O
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties