Products for Research Use Only
RegisterLogin

Heptanoic acid

CAT: 0024-sc-215142Size: 100 mLDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-215142Size:100 mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
111-14-8

Chemical Information

Heptanoic Acid

Heptanoic acid is a C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes. It has a role as a plant metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a heptanoate.

CAS Number111-14-8
PubChem CID8094
IUPAC Nameheptanoic acid
Molecular FormulaC7H14O2
Molecular Weight130.18
XLogP2.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity79
SMILES
CCCCCCC(=O)O
InChI
InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey
MNWFXJYAOYHMED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Heptanoic Acid
CAS: 111-14-8
CID: 8094
Formula: C7H14O2
MW: 130.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.18
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass130.099379685
Monoisotopic Mass130.099379685
Topological Polar Surface Area37.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity79
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-489711AHeptanoic Anhydride
sc-489711Heptanoic Anhydride
sc-498172Mal-heptanoic NHS ester
sc-2891593-Heptenoic Acid
sc-289159A3-Heptenoic Acid
sc-2390986-Heptynoic acid
sc-2881202-Heptenoic Acid
sc-2270826-Heptenoic acid
sc-4868732-Heptynoic Acid
sc-5044912-tert-Butyloxycarbonylamino-5-heptenoic Acid

Alternative Products

CatalogName
TRC-H998455-250GHeptanoic Acid
H01500-01Heptanoic acid 98%
S-2137Heptanoic acid - 1ML
GTR19274707-01Cholesterol heptanoic acid
H998710Heptanoic Acid (D13, 98%)
TRC-F700513-250MG5-Formyl-heptanoic Acid
T65305Heptanoic acid methyl ester
MBS9023842-017-Amino-heptanoic acid
OR1103273-017- (Methylthio) heptanoic acid
OR1064879-015-Oxo-heptanoic acid

Popular Products