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7103-80-2 | 1H-Indene-2-acetic acid, 2,3-dihydro-1-oxo-
CAS No: 7103-80-2 Catalog No: AG005EST MDL No:
Product Description
Catalog Number:
AG005EST
Chemical Name:
1H-Indene-2-acetic acid, 2,3-dihydro-1-oxo-
CAS Number:
7103-80-2
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
IUPAC Name:
2-(3-oxo-1,2-dihydroinden-2-yl)acetic acid
InChI:
InChI=1S/C11H10O3/c12-10(13)6-8-5-7-3-1-2-4-9(7)11(8)14/h1-4,8H,5-6H2,(H,12,13)
InChI Key:
BBKDCMMVYKIYCR-UHFFFAOYSA-N
SMILES:
OC(=O)CC1Cc2c(C1=O)cccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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