Cas no 16978-11-3 (Cyclobutaneacetic acid,3-acetyl-2,2-dimethyl-, methyl ester)

Cyclobutaneacetic acid,3-acetyl-2,2-dimethyl-, methyl ester structure
16978-11-3 structure
Product Name:Cyclobutaneacetic acid,3-acetyl-2,2-dimethyl-, methyl ester
CAS No:16978-11-3
MF:C11H18O3
MW:198.258823871613
CID:191683
PubChem ID:86494
Update Time:2025-04-19

Cyclobutaneacetic acid,3-acetyl-2,2-dimethyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Cyclobutaneacetic acid,3-acetyl-2,2-dimethyl-, methyl ester
    • methyl 2-(3-acetyl-2,2-dimethylcyclobutyl)acetate
    • methyl 3-acetyl-2,2-dimethylcyclobutaneacetate
    • (+/-)-methyl cis-pinonate
    • (+-)-(2.2-Dimethyl-3c-acetyl-cyclobutyl-(r))-essigsaeure-methylester
    • (+-)-(3c-acetyl-2,2-dimethyl-cyclobut-r-yl)-acetic acid methyl ester
    • (+-)-(3c-Acetyl-2,2-dimethyl-cyclobut-r-yl)-essigsaeure-methylester
    • (+-)-cis-Pinonsaeure-methylester
    • AC1L3BO5
    • AC1Q5ZTV
    • AGN-PC-00925A
    • EINECS 241-055-2
    • Methyl pinonate
    • methyl(3-acetyl-2,2-dimethylcyclobutyl)acetate
    • NSC96756
    • pinonic acid methyl ester
    • SureCN2818518
    • 3-Acetyl-2,2-dimethylcyclobutane-1-acetic acid methyl ester
    • DTXSID90937679
    • Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-, methyl ester
    • NSC-96756
    • methyl (3-acetyl-2,2-dimethylcyclobutyl)acetate
    • NS00054138
    • Cyclobutaneacetic acid,2-dimethyl-, methyl ester
    • 16978-11-3
    • SCHEMBL2818518
    • NSC 96756
    • Inchi: 1S/C11H18O3/c1-7(12)9-5-8(11(9,2)3)6-10(13)14-4/h8-9H,5-6H2,1-4H3
    • InChI Key: DVAHCHCZPNEYNF-UHFFFAOYSA-N
    • SMILES: O=C(C)C1CC(CC(=O)OC)C1(C)C

Computed Properties

  • Exact Mass: 198.12564
  • Monoisotopic Mass: 198.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 255
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1
  • Boiling Point: 248.9°Cat760mmHg
  • Flash Point: 101.3°C
  • Refractive Index: 1.444
  • PSA: 43.37
  • LogP: 1.80080
Recommended suppliers
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.