Name: Name:4-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid
Brand: Angene
SKU: AG001O21
Rating: 90 (10 reviews)

4-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid

CAS No.:

155603-50-2

Catalog Number:

AG001O21

Molecular Formula:

C16H21O4-

Molecular Weight:

277.3355

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$732

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Product Description

Catalog Number:

AG001O21

Chemical Name:

4-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid

CAS Number:

155603-50-2

Molecular Formula:

C16H21O4-

Molecular Weight:

277.3355

MDL Number:

MFCD02752454

IUPAC Name:

4-(2-ethylhexoxycarbonyl)benzoic acid

InChI:

InChI=1S/C16H22O4/c1-3-5-6-12(4-2)11-20-16(19)14-9-7-13(8-10-14)15(17)18/h7-10,12H,3-6,11H2,1-2H3,(H,17,18)

InChI Key:

HRUJAEJKCNCOGW-UHFFFAOYSA-N

SMILES:

CCCCC(COC(=O)c1ccc(cc1)C(=O)[O-])CC

Properties

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.348g/mol

Monoisotopic Mass:

278.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
[Studies on the chemical constituents of Ligularia macrophylla].	Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20100301