1,1-Cyclopentanediacetic Acid

CAT: 1596-AR-P30758-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30758-01Size:10 Units

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CAS Number

16713-66-9

Synonyms

3,3-Tetramethyleneglutaric Acid

Molecular Formula

C9H14O4

Molecular Weight

186.21

API Name

Pentanone

Chemical Information

1,1-Cyclopentanediacetic acid

CAS Number	16713-66-9
PubChem CID	85558
IUPAC Name	2-[1-(carboxymethyl)cyclopentyl]acetic acid
Molecular Formula	C9H14O4
Molecular Weight	186.20
XLogP	1.3
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	198

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)

InChIKey

FWPVKDFOUXHOKQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16713-66-9

CID: 85558

Formula: C9H14O4

MW: 186.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.20
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	186.08920892
Monoisotopic Mass	186.08920892
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	198
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C01082-01	1-Caffeoylquinic Acid
AR-N08321-01	1-Naphthoic Acid
AR-B06528-01	1-Phenylethanesulfonic Acid
AR-G01675-01	1,1-Cyclohexanediacetic acid monoamide
AR-G01017-01	1,1-Cyclohexanediacetic Acid Monoamide
AR-S01929-01	1-Ethyl-1-Methylsuccinic Acid
AR-C07776-01	Citric Acid Impurity 1 (1:1 Mixture)
AR-P31461-01	1-Hydroxy-Nonane-1,1-Bisphosphonic Acid
AR-M03091-01	Heptane-1,1,7-tricarboxylic acid
AR-T04924-01	(E) -1-Propene-1-Sulfenic Acid

Catalog	Name
40140017-1	Acid Fuchsin (1%) in 1% Acetic Acid
FC56849-01	1,1-Cyclopropanedicarboxylic acid
007269-01	1,1-Cyclohexanediacetic Acid
410531-01	1,1’-Dideoxygossylic Acid
410411-01	1,1-Dithiopyrophosphoric Acid
TRC-F307620-250MG	1,1'-Ferrocenedicarboxylic Acid
TRC-B416503-5G	1,1-Cyclobutanedicarboxylic Acid
sc-485531	1,1'-Ferrocenediboronic acid
sc-264980	1,1-Cyclohexanedicarboxylic acid
F01050-01	1,1-Ferrocenedicarboxylic acid