Cas no 407628-30-2 (Cyclohexanecarboxylicacid, 4-acetyl-)

Cyclohexanecarboxylicacid, 4-acetyl- structure
407628-30-2 structure
Product Name:Cyclohexanecarboxylicacid, 4-acetyl-
CAS No:407628-30-2
MF:C9H14O3
MW:170.205663204193
CID:326159
PubChem ID:5238444
Update Time:2025-04-19

Cyclohexanecarboxylicacid, 4-acetyl- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylicacid, 4-acetyl-
    • 4-acetylcyclohexane-1-carboxylic acid
    • Cyclohexanecarboxylic acid, 4-acetyl- (9CI)
    • 4-acetylcyclohexanecarboxylic acid
    • SCHEMBL1656991
    • 131246-74-7
    • 4-acetylcyclohexanecarboxylicacid
    • Rel-(1s,4s)-4-acetylcyclohexane-1-carboxylic acid
    • SCHEMBL3997992
    • 407628-30-2
    • DTXSID10412352
    • trans-4-acetylcyclohexanecarboxylic acid
    • Rel-(1s,4r)-4-acetylcyclohexane-1-carboxylic acid
    • SCHEMBL13951664
    • 500688-80-2
    • Inchi: 1S/C9H14O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h7-8H,2-5H2,1H3,(H,11,12)/t7-,8+
    • InChI Key: ZRKFRUWMDLOXNB-OCAPTIKFSA-N
    • SMILES: OC([C@@H]1CC[C@H](C(C)=O)CC1)=O

Computed Properties

  • Exact Mass: 170.094294304g/mol
  • Monoisotopic Mass: 170.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 190
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 54.4?2
Recommended suppliers
NewCan Biotech Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen