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5836-85-1

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Basic Information
CAS No.: 5836-85-1
Name: 11-Methoxy-15,16-dihydro-17H-cyclopenta[a]phenanthrene-17-one
Article Data: 4
Molecular Structure:
Molecular Structure of 5836-85-1 (11-Methoxy-15,16-dihydro-17H-cyclopenta[a]phenanthrene-17-one)
Formula: C18H14O2
Molecular Weight: 262.308
Synonyms: 15,16-dihydro-11-methoxycyclopentaphenanthren-17-one;11-Methoxy-15,16-dihydro-cyclopentaphenanthren-17-on;
Density: 1.265g/cm3
Boiling Point: 491.4°Cat760mmHg
Flash Point: 236.9°C
Safety: Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
PSA: 26.30000
LogP: 4.13050
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  • 15,16-Dihydro-11-Methoxycyclopenta(A)-Phenanthren-17-One

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    5836-85-1

    15,16-Dihydro-11-Methoxycyclopenta(A)-Phenanthren-17-One

    Min.Order: 1 Gram

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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  • 1,2-Propanediol,3-(phenylamino)-

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    1,2-Propanediol,3-(phenylamino)-

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    Our own factory produces direct sales with absolute price advantage Application:Pharmaceutical industry Transportation:By sea Port:Shanghai/tianjin

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Chemistry

Chemistry informtion about 15,16-Dihydro-11-Methoxycyclopenta(A)-Phenanthren-17-One(CAS NO.5836-85-1) is:
IUPAC Name: 11-methoxy-15,16-dihydrocyclopenta[a]phenanthren-17-one
Synonyms: 11-Methoxy-15,16-dihydro-17H-cyclopenta[a]phenanthrene-17-one ; 15,16-Dihydro-11-methoxy-17H-cyclopenta[a]phenanthren-17-one
Molecular Weight: 262.30256 [g/mol]
Molecular Formula: C18H14O2
XLogP3-AA: 4.1
H-Bond Donor: 0
H-Bond Acceptor: 2
Density: 1.265 g/cm3
Flash Point: 236.9 °C
Enthalpy of Vaporization: 75.81 kJ/mol
Boiling Point: 491.4 °C at 760 mmHg
Vapour Pressure: 8.43E-10 mmHg at 25°C
Following is the molecular structure of 15,16-Dihydro-11-Methoxycyclopenta(A)-Phenanthren-17-One(CAS NO.5836-85-1) is:

Toxicity Data With Reference

1.    

skn-mus TDLo:108 mg/kg/1Y-I:CAR

     PEXTAR    Progress in Experimental Tumor Research. 11 (1969),69.

Safety Profile

Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.

Specification

Descriptors Computed from Structure about 15,16-Dihydro-11-Methoxycyclopenta(A)-Phenanthren-17-One(CAS NO.5836-85-1) is:
Canonical SMILES: COC1=C2C(=C3CCC(=O)C3=C1)C=CC4=CC=CC=C42
InChI: InChI=1S/C18H14O2/c1-20-17-10-15-13(8-9-16(15)19)14-7-6-11-4-2-3-5-12(11)18(14)17/h2-7,10H,8-9H2,1H3
InChIKey: NGXQHSGMHCOILD-UHFFFAOYSA-N