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25110-82-1 | 1H-Indene-4-propanoic acid, 2,3,5,6,7,7a-hexahydro-7a-methyl-1,5-dioxo-
CAS No: 25110-82-1 Catalog No: AG002QIK MDL No:
Product Description
Catalog Number:
AG002QIK
Chemical Name:
1H-Indene-4-propanoic acid, 2,3,5,6,7,7a-hexahydro-7a-methyl-1,5-dioxo-
CAS Number:
25110-82-1
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
3-(7a-methyl-1,5-dioxo-2,3,6,7-tetrahydroinden-4-yl)propanoic acid
InChI:
InChI=1S/C13H16O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h2-7H2,1H3,(H,16,17)
InChI Key:
MQIGRVMBIPYVRE-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1=C2CCC(=O)C2(CCC1=O)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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