Name: Name:1,2-Benzenedicarboxylic acid, 1,2-bis(2-butoxyethyl) ester
Brand: Angene
SKU: AG000DI5
Rating: 90 (10 reviews)

1,2-Benzenedicarboxylic acid, 1,2-bis(2-butoxyethyl) ester

CAS No.:

117-83-9

Catalog Number:

AG000DI5

Molecular Formula:

C20H30O6

Molecular Weight:

366.4486

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

25g

>85.0%(GC)

1 week

United States

$87

- +

Product Description

Catalog Number:

AG000DI5

Chemical Name:

1,2-Benzenedicarboxylic acid, 1,2-bis(2-butoxyethyl) ester

CAS Number:

117-83-9

Molecular Formula:

C20H30O6

Molecular Weight:

366.4486

MDL Number:

MFCD00048781

IUPAC Name:

bis(2-butoxyethyl) benzene-1,2-dicarboxylate

InChI:

InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3

InChI Key:

CMCJNODIWQEOAI-UHFFFAOYSA-N

SMILES:

CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC

EC Number:

204-213-1

UNII:

N3MI1R200O

NSC Number:

4840

Properties

Complexity:

349

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

366.204g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

366.454g/mol

Monoisotopic Mass:

366.204g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	Journal of molecular graphics & modelling 20061101

Properties