Cyclopentane-1,1-diacetic acid

• Catalog Number: ACM16713669
• Product Name: Cyclopentane-1,1-diacetic acid
• CAS: 16713-66-9
• Category: Heterocyclic Organic Compound
• IUPAC Name: 2-[1-(carboxymethyl)cyclopentyl]acetic acid
• Molecular Weight: 186.2g/mol
• Molecular Formula: C9H14O4
• Canonical SMILES: C1CCC(C1)(CC(=O)O)CC(=O)O
• InChI: InChI=1S/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)
• InChI Key: FWPVKDFOUXHOKQ-UHFFFAOYSA-N
• Complexity: 198
• Covalently-Bonded Unit Count: 1
• EC Number: 240-761-8
• Exact Mass: 186.089209g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 186.089209g/mol
• NSC Number: 39838
• Rotatable Bond Count: 4
• XLogP3: 1.3