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175615-60-8 | Cyclopentanepropanoic acid, 3-(carboxyhydroxymethylene)-2-oxo-
CAS No: 175615-60-8 Catalog No: AG00213E MDL No:
Product Description
Catalog Number:
AG00213E
Chemical Name:
Cyclopentanepropanoic acid, 3-(carboxyhydroxymethylene)-2-oxo-
CAS Number:
175615-60-8
Molecular Formula:
C10H12O6
Molecular Weight:
228.1987
IUPAC Name:
3-[3-[carboxy(hydroxy)methylidene]-2-oxocyclopentyl]propanoic acid
InChI:
InChI=1S/C10H12O6/c11-7(12)4-2-5-1-3-6(8(5)13)9(14)10(15)16/h5,14H,1-4H2,(H,11,12)(H,15,16)
InChI Key:
BXXGDYIOQGQOMQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1CCC(=C(C(=O)O)O)C1=O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.2g/mol
Monoisotopic Mass:
228.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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