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Home Carboxys 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylic acid

1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylic acid

CAS No.:
308244-31-7
Catalog Number:
AG00I5S9
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
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Product Description
Catalog Number:
AG00I5S9
Chemical Name:
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylic acid
CAS Number:
308244-31-7
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
MDL Number:
MFCD00439344
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C14H16O4/c15-13(16)14(5-1-2-6-14)10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9H,1-2,5-8H2,(H,15,16)
InChI Key:
LERQNMXBXXERSK-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCC1)c1ccc2c(c1)OCCO2
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
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