CAS 629-83-4 | Methyl triacontanoate | CAS Number 629-83-4

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629-83-4 | Methyl triacontanoate

CAS No: 629-83-4 Catalog No: AG003S0W MDL No:MFCD00042897

Product Description

Catalog Number:

AG003S0W

Chemical Name:

Methyl triacontanoate

CAS Number:

629-83-4

Molecular Formula:

C31H62O2

Molecular Weight:

466.8228

MDL Number:

MFCD00042897

IUPAC Name:

methyl triacontanoate

InChI:

InChI=1S/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33-2/h3-30H2,1-2H3

InChI Key:

BIRUBGLRQLAEFF-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

EC Number:

211-113-1

NSC Number:

20743

Properties

Complexity:

366

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

466.475g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

466.835g/mol

Monoisotopic Mass:

466.475g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

15.5

Literature

Title	Journal
Integration of metabolomic and proteomic phenotypes: analysis of data covariance dissects starch and RFO metabolism from low and high temperature compensation response in Arabidopsis thaliana.	Molecular & cellular proteomics : MCP 20080901
Lipoxygenase inhibiting ethyl substituted glycoside from Symplocos racemosa.	Natural product research 20050701