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30627-53-3 | 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, mono(p-fluorobenzyl) ester, cis-exo- (8CI)
CAS No: 30627-53-3 Catalog No: AG0030PT MDL No:
Product Description
Catalog Number:
AG0030PT
Chemical Name:
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, mono(p-fluorobenzyl) ester, cis-exo- (8CI)
CAS Number:
30627-53-3
IUPAC Name:
(1S,4R)-3-[(4-fluorophenyl)methoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
InChI:
InChI=1S/C15H15FO5/c16-9-3-1-8(2-4-9)7-20-15(19)13-11-6-5-10(21-11)12(13)14(17)18/h1-4,10-13H,5-7H2,(H,17,18)/t10-,11+,12?,13?/m0/s1
InChI Key:
XMXZJNFTOVRFDD-ZFDZMSFRSA-N
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
294.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.278g/mol
Monoisotopic Mass:
294.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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