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89445-38-5 | 1H-Indene-2-propanoic acid, 5-chloro-2,3-dihydro-1-oxo-
CAS No: 89445-38-5 Catalog No: AG0044IM MDL No:
Product Description
Catalog Number:
AG0044IM
Chemical Name:
1H-Indene-2-propanoic acid, 5-chloro-2,3-dihydro-1-oxo-
CAS Number:
89445-38-5
Molecular Formula:
C12H11ClO3
Molecular Weight:
238.6669
IUPAC Name:
3-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)propanoic acid
InChI:
InChI=1S/C12H11ClO3/c13-9-2-3-10-8(6-9)5-7(12(10)16)1-4-11(14)15/h2-3,6-7H,1,4-5H2,(H,14,15)
InChI Key:
WEGKLIXOTHMMBR-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1Cc2c(C1=O)ccc(c2)Cl
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.667g/mol
Monoisotopic Mass:
238.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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