Products for Research Use Only
RegisterLogin

7-hydroxycoumarinyl-?-Linolenate

CAT: 0127-BUP22043Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP22043Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
161180-12-7
MDL Number
MFCD18427705
Smiles
O(C(CCCC/C=CC/C=CC/C=CCCCCC)=O)C=1C=C2C(=CC1)C=CC(=O)O2

Chemical Information

6,9,12-Octadecatrienoic acid, 2-oxo-2H-1-benzopyran-7-yl ester, (Z,Z,Z)-

7-hydroxycoumarinyl-gamma-linolenate is a member of coumarins and an octadecanoid.

CAS Number161180-12-7
PubChem CID91746434
IUPAC Name(2-oxochromen-7-yl) (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Molecular FormulaC27H34O4
Molecular Weight422.6
XLogP7.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count31
Formal Charge0
Complexity644
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC1=CC2=C(C=C1)C=CC(=O)O2
InChI
InChI=1S/C27H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28)30-24-20-18-23-19-21-27(29)31-25(23)22-24/h6-7,9-10,12-13,18-22H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-
InChIKey
LPIXSKJJCANUQD-QNEBEIHSSA-N
Chemical Structure
2D Structure
2D structure of 6,9,12-Octadecatrienoic acid, 2-oxo-2H-1-benzopyran-7-yl ester, (Z,Z,Z)-
CAS: 161180-12-7
CID: 91746434
Formula: C27H34O4
MW: 422.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.6
XLogP37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass422.24570956
Monoisotopic Mass422.24570956
Topological Polar Surface Area52.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP16677-01Methyl Linolenate
OR14329-017-Hydroxycoumarin
OR351001-013-Cyano-7-hydroxycoumarin
OR8056-014- (Chloromethyl) -7-hydroxycoumarin
BUP08568-018-Acetyl-7-Hydroxycoumarin
OR3512406-Chloro-7-hydroxycoumarin
OR16598Potassium 7-hydroxycoumarin sulphate
OR932753-013-Azido-7-hydroxycoumarin
BUP11436-013-Cyano-7-hydroxycoumarin
OR345001-018-Acetyl-7-hydroxycoumarin

Alternative Products

CatalogName
GTR193509747-hydroxycoumarinyl-γ-Linolenate
MBS57986567-hydroxycoumarinyl-gamma-Linolenate
C3364-507-hydroxycoumarinyl Arachidonate
439687-017-HC-γ-linolenate
TRC-A594813-100MG7-HC-gamma-linolenate
HY-165771Arachidyl linolenate
HY-165898Myristyl linolenate
T10807-01Cholesteryl Linolenate
MBS394842-01Linolenyl Linolenate
MBS394841-01Linoleyl Linolenate

Popular Products