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71823-43-3 | 1H-Indene-1-aceticacid, 2,3-dihydro-3-phenyl-
CAS No: 71823-43-3 Catalog No: AG00627E MDL No:
Product Description
Catalog Number:
AG00627E
Chemical Name:
1H-Indene-1-aceticacid, 2,3-dihydro-3-phenyl-
CAS Number:
71823-43-3
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
IUPAC Name:
2-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetic acid
InChI:
InChI=1S/C17H16O2/c18-17(19)11-13-10-16(12-6-2-1-3-7-12)15-9-5-4-8-14(13)15/h1-9,13,16H,10-11H2,(H,18,19)
InChI Key:
SPMZTVMUKNTXEW-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CC(c2c1cccc2)c1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.313g/mol
Monoisotopic Mass:
252.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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