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72216-50-3 | 1H-Indene-1-propanoicacid, 2,3-dihydro-3-phenyl-
CAS No: 72216-50-3 Catalog No: AG005JFS MDL No:
Product Description
Catalog Number:
AG005JFS
Chemical Name:
1H-Indene-1-propanoicacid, 2,3-dihydro-3-phenyl-
CAS Number:
72216-50-3
Molecular Formula:
C18H18O2
Molecular Weight:
266.3343
IUPAC Name:
3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid
InChI:
InChI=1S/C18H18O2/c19-18(20)11-10-14-12-17(13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,14,17H,10-12H2,(H,19,20)
InChI Key:
XTLDALXUGWJVGF-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1CC(c2c1cccc2)c1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.34g/mol
Monoisotopic Mass:
266.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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