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1224104-17-9 | 1H-Indene-1-acetic acid, 6-fluoro-2,3-dihydro-5-hydroxy-, ethyl ester
CAS No: 1224104-17-9 Catalog No: AG00176Z MDL No:
Product Description
Catalog Number:
AG00176Z
Chemical Name:
1H-Indene-1-acetic acid, 6-fluoro-2,3-dihydro-5-hydroxy-, ethyl ester
CAS Number:
1224104-17-9
Molecular Formula:
C13H15FO3
Molecular Weight:
238.2548
IUPAC Name:
ethyl 2-(6-fluoro-5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate
InChI:
InChI=1S/C13H15FO3/c1-2-17-13(16)6-9-4-3-8-5-12(15)11(14)7-10(8)9/h5,7,9,15H,2-4,6H2,1H3
InChI Key:
YVMPGFSCPNZSHJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1CCc2c1cc(F)c(c2)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.258g/mol
Monoisotopic Mass:
238.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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