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1224104-16-8 | 1H-Indene-1-acetic acid, 6-fluoro-2,3-dihydro-5-methoxy-, ethyl ester
CAS No: 1224104-16-8 Catalog No: AG001770 MDL No:
Product Description
Catalog Number:
AG001770
Chemical Name:
1H-Indene-1-acetic acid, 6-fluoro-2,3-dihydro-5-methoxy-, ethyl ester
CAS Number:
1224104-16-8
Molecular Formula:
C14H17FO3
Molecular Weight:
252.2814
IUPAC Name:
ethyl 2-(6-fluoro-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
InChI:
InChI=1S/C14H17FO3/c1-3-18-14(16)7-10-5-4-9-6-13(17-2)12(15)8-11(9)10/h6,8,10H,3-5,7H2,1-2H3
InChI Key:
VCRFPCJABVCPSL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1CCc2c1cc(F)c(c2)OC
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.285g/mol
Monoisotopic Mass:
252.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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