Cas no 22058-70-4 (Heptanoic acid, 2-butyl-)
Heptanoic acid, 2-butyl- structure
Product Name:Heptanoic acid, 2-butyl-
CAS No:22058-70-4
MF:C11H22O2
MW:186.291183948517
CID:1406970
PubChem ID:12424121
Update Time:2025-04-20
Heptanoic acid, 2-butyl- Chemical and Physical Properties
Names and Identifiers
-
- Heptanoic acid, 2-butyl-
- 2-butylheptanoic acid
- DTXSID50497608
- UEWINXFENVHYDF-UHFFFAOYSA-N
- SCHEMBL1070738
- 22058-70-4
- AKOS006279405
-
- Inchi： 1S/C11H22O2/c1-3-5-7-9-10(11(12)13)8-6-4-2/h10H,3-9H2,1-2H3,(H,12,13)
- InChI Key： UEWINXFENVHYDF-UHFFFAOYSA-N
- SMILES： OC(C(CCCC)CCCCC)=O
Computed Properties
- Exact Mass: 186.16206
- Monoisotopic Mass: 186.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 132
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Heptanoic acid, 2-butyl- Related Literature
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
22058-70-4 (Heptanoic acid, 2-butyl-) Related Products
- 595-37-9(Dimebutic acid)
- 597-43-3(2,2-Dimethylsuccinic acid)
- 610-09-3(cis-1,2-Cyclohexanedicarboxylic acid)
- 619-81-8(Cis-1,2-Cyclohexanedicarboxylic Acid)
- 97-61-0(2-Methyl-pentanoic Acid)
- 498-21-5(Methylsuccinic acid)
- 124-83-4((1R,3S)-Camphoric Acid)
- 619-82-9(trans-cyclohexane-1,4-dicarboxylic acid)
- 105-43-1(3-methylpentanoic acid)
- 99-66-1(Valproic acid)
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