Related Searches: 1,1-Cyclohexanediacetic acid, cyclohexanediacetic acid, 1,1-Cyclobutanedicarboxylic acid, 1-Hydroxyethylidene-1,1-diphosphonic acid, 1,1-dimethylethyl, View all

1,1-Cyclohexanediacetic acid(CAS No. 4355-11-7)

1,1-Cyclohexanediacetic acid C10H16O4 (cas 4355-11-7) Molecular Structure

4355-11-7 Structure

Identification and Related Records

【Name】
1,1-Cyclohexanediacetic acid
【CAS Registry number】
4355-11-7
【Synonyms】
3,3-Pentamethyleneglutaric Acid
1,1-Cyanohexanediacetic acid
1,1-CYCLOHEXANE DIACETIC ACID (CDA)
Cyclohexyl diacetic acid
Cyclohexane-1,1'-diacetic acid
1,1-Cyclohexen diacetic acid
CDA
【EINECS(EC#)】
224-427-9
【Molecular Formula】
C10H16O4 (Products with the same molecular formula)
【Molecular Weight】
200.23
【Inchi】
InChI=1/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14)
【Canonical SMILES】
C1CCC(CC1)(CC(=O)O)CC(=O)O
【MOL File】
4355-11-7.mol

Chemical and Physical Properties

【Appearance】
white crystalline powder
【Density】
1.182g/cm3
【Melting Point】
181-185℃
【Boiling Point】
181℃-185℃
【Flash Point】
213.3°C
【Storage temp】
Refrigerator
【Computed Properties】
Molecular Weight:200.23164 [g/mol]
Molecular Formula:C10H16O4
XLogP3-AA:1.8
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:4
Exact Mass:200.104859
MonoIsotopic Mass:200.104859
Topological Polar Surface Area:74.6
Heavy Atom Count:14
Formal Charge:0
Complexity:210
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
Feature 3D Acceptor Count:4
Feature 3D Anion Count:2
Feature 3D Ring Count:1
Effective Rotor Count:5.2
Conformer Sampling RMSD:0.6
CID Conformer Count:20

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Transport】
25kgs

Supplier Location

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Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
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Telephone:86-571-88938639
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Telephone:86-571-85232161

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