7-Hydroxywarfarin
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7-Hydroxywarfarin
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CAS No:
17834-03-6
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Formula:
C19H16O5
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Chemical Name:
7-Hydroxywarfarin
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Synonyms:
2H-1-Benzopyran-2-one,4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)-;Coumarin,3-(α-acetonylbenzyl)-4,7-dihydroxy-;4,7-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one;7-Hydroxywarfarin;87099-82-9
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CAS No:
Characteristics
87.74000
3.31520
1.384g/cm3
203-205 °C
540.2ºC at 760mmHg
197.7ºC
1.658
2-8ºC
1.68E-12mmHg at 25°C
Safety Information
R22
S26
Xn
P280; P305 + P351 + P338
H302; H318
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:324.3
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:324.09977361
Monoisotopic Mass:324.09977361
Topological Polar Surface Area:83.8
Heavy Atom Count:24
Complexity:532
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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