CAS 29106-32-9 | 2-Cyclopentene-1-tridecanoic acid, (1S)- | CAS Number 29106-32-9

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29106-32-9 | 2-Cyclopentene-1-tridecanoic acid, (1S)-

CAS No: 29106-32-9 Catalog No: AG002XCL MDL No:MFCD06858389

Product Description

Catalog Number:

AG002XCL

Chemical Name:

2-Cyclopentene-1-tridecanoic acid, (1S)-

CAS Number:

29106-32-9

Molecular Formula:

C18H32O2

Molecular Weight:

280.4455

MDL Number:

MFCD06858389

IUPAC Name:

13-[(1S)-cyclopent-2-en-1-yl]tridecanoic acid

InChI:

InChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)/t17-/m1/s1

InChI Key:

XMVQWNRDPAAMJB-QGZVFWFLSA-N

SMILES:

OC(=O)CCCCCCCCCCCC[C@@H]1C=CCC1

EC Number:

249-440-7

UNII:

6TD35V6OLU

Properties

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.24g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.452g/mol

Monoisotopic Mass:

280.24g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Antituberculosis agents and an inhibitor of the para-aminobenzoic acid biosynthetic pathway from Hydnocarpus anthelminthica seeds.	Chemistry & biodiversity 20100801
Identification of chaulmoogric acid as a small molecule activator of protein phosphatase 5.	Applied biochemistry and biotechnology 20100301