Equilin
Properties
- Molecular formula
- C18H20O2
- Molar mass
- 268.36 g/mol
- Exact mass
- 268.1463 Da
- Melting point
- 239 °C
- logP
- 3.74Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
- Stereocentres
- S, S, Sin SMILES atom order
Hazards
Danger
- H302 Harmful if swallowed20.5% of notifiers
- H312 Harmful in contact with skin20.5% of notifiers
- H332 Harmful if inhaled20.5% of notifiers
- H351 Suspected of causing cancer98.8% of notifiers
- H360 May damage fertility or the unborn child32.5% of notifiers
- H361 Suspected of damaging fertility or the unborn child66.3% of notifiers
- H362 May cause harm to breast-fed children32.5% of notifiers
Aggregated from 83 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P263, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501
Identifiers
CAS number
474-86-2SMILES
C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CCC2=OInChIKey
WKRLQDKEXYKHJB-HFTRVMKXSA-NInChI
InChI=1S/C18H20O2/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,2,6-9H2,1H3/t14-,16+,18+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy-
- 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one
- 1,3,5,7-Estratetraen-3-ol-17-one
- 7-Dehydroestrone
- NSC 10971
Work with Equilin
Similar compounds
Estrone53-16-752 % similar
(+)-Estrone 3-methyl ether1624-62-035 % similar
Estradiol 17-acetate1743-60-834 % similar
Estradiol cypionate313-06-433 % similar
Estradiol valerate979-32-833 % similar
Estradiol50-28-233 % similar
Alpha-Estradiol57-91-033 % similar
Estradiol enanthate4956-37-033 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds