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32004-66-3 | 5-Fluoro-2-methyl-1H-indene-3-acetic acid
CAS No: 32004-66-3 Catalog No: AG0032UY MDL No:MFCD01076194
Product Description
Catalog Number:
AG0032UY
Chemical Name:
5-Fluoro-2-methyl-1H-indene-3-acetic acid
CAS Number:
32004-66-3
Molecular Formula:
C12H11FO2
Molecular Weight:
206.2129
MDL Number:
MFCD01076194
IUPAC Name:
2-(6-fluoro-2-methyl-3H-inden-1-yl)acetic acid
InChI:
InChI=1S/C12H11FO2/c1-7-4-8-2-3-9(13)5-11(8)10(7)6-12(14)15/h2-3,5H,4,6H2,1H3,(H,14,15)
InChI Key:
QDDPPRDVFIJASZ-UHFFFAOYSA-N
SMILES:
CC1=C(CC(=O)O)c2c(C1)ccc(c2)F
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.216g/mol
Monoisotopic Mass:
206.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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