Estrone, p-nitrobenzoate

(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 4-nitrobenzoate

CAS: 41623-27-2

Molecular Formula	`C25H25NO5`
Molecular Weight	419.5 g/mol
LogP	4.7
Topological Polar Surface Area	89.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	419.17328
Heavy Atoms	31
Complexity	739.0

Chemical Identifiers

CAS Number	41623-27-2
SMILES	`CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]`
InChIKey	`HSVAEISJKGHUGC-UHFFFAOYSA-N`

📖 Product Overview

Estrone, p-nitrobenzoate (CAS: 41623-27-2) is a chemical compound with molecular formula C25H25NO5 and molecular weight 419.5 g/mol. Its IUPAC systematic name is (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 4-nitrobenzoate. LogP 4.7 Topological Polar Surface Area 89.2 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 419.17328 Heavy Atoms 31 Complexity 739.0 InChI Key: HSVAEISJKGHUGC-UHFFFAOYSA-N. SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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