Estra-1,3,5(10)-trien-17-one 53-45-2 CAS NO.53-45-2

Min.Order Quantity:: 1 Gram

Purity:: 99%

Port:: SHANGHAI

Payment Terms:: L/C,T/T,

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Product Details

Keywords

Estra-1,3,5(10)-trien-17-one
53-45-2
C18H22 O

Quick Details

ProName: Estra-1,3,5(10)-trien-17-one 53-45-2
CasNo: 53-45-2
Molecular Formula: C18H22 O
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 1 Metric Ton/Month
Purity: 99%
Storage: room temp
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

Superiority

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Details

identification and related records
【name】
estra-1,3,5(10)-trien-17-one
【iupac name】
(8r,9s,13s,14s)-13-methyl-7,8,9,11,12,14,15,
16-octahydro-6h-cyclopenta[a]phenanthren-17-one
【cas registry number】
53-45-2
【synonyms】
estratrien-17-one(6ci)
3-deoxyestrone
adopron
agrestin
deoxyestrone
desoxyestrone
estrone,3-deoxy-
nsc 22195
【molecular formula】
c18h22 o (products with the same molecular formula)
【molecular weight】
254.36668
【inchi】
inchi=1/c18h22o/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16h,6-11h2,1h3/t14-,15-,16+,18+/m1/s1
【canonical smiles】
cc12ccc3c(c1ccc2=o)ccc4=cc=cc=c34
【isomers smiles】
c[c@]12cc[c@h]3[c@h]([c@@h]1ccc2=o)ccc4=cc=cc=c34
【mol file】
53-45-2.mol
chemical and physical properties
【density】
1.088g/cm3
【boiling point】
387°cat760mmhg
【refractive index】
1.565
【flash point】
167.8°c
【computed properties】
molecular weight:254.36668 [g/mol]
molecular formula:c18h22o
xlogp3:3.5
h-bond donor:0
h-bond acceptor:1
rotatable bond count:0
tautomer count:2
exact mass:254.167065
monoisotopic mass:254.167065
topological polar surface area:17.1
heavy atom count:19
formal charge:0
complexity:387
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
feature 3d acceptor count:1
feature 3d ring count:4
effective rotor count:1.2
conformer sampling rmsd:0.6
cid conformer count:1