Estrone

CAT: 1266-JH694668Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:1266-JH694668Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

53-16-7

Chemical Information

Estrone

Estrone can cause cancer according to an independent committee of scientific and health experts.

CAS Number	53-16-7
PubChem CID	5870
IUPAC Name	(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Molecular Formula	C18H22O2
Molecular Weight	270.4
XLogP	3.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	20
Formal Charge	0
Complexity	418

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O

InChI

InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1

InChIKey

DNXHEGUUPJUMQT-CBZIJGRNSA-N

Chemical Structure

2D Structure

CAS: 53-16-7

CID: 5870

Formula: C18H22O2

MW: 270.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.4
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	270.161979940
Monoisotopic Mass	270.161979940
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	418
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS766232-01	Estrone (Estrone)
KLU0114	GENLISA™ Estrone (Estrone) ELISA
KLU0263	GENLISA Estrone (Estrone) ELISA
EKF57997	Estrone (Estrone) ELISA Kit
BUP18515-01	Estrone