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1′-Hydroxyestragole

1′-Hydroxyestragole structure

CAS No:
51410-44-7
Formula:
C10H12O2
Chemical Name:
1′-Hydroxyestragole
Synonyms:
Benzenemethanol,α-ethenyl-4-methoxy-;Benzyl alcohol,p-methoxy-α-vinyl-;α-Ethenyl-4-methoxybenzenemethanol;1-(p-Methoxyphenyl)allyl alcohol;p-Methoxy-α-vinylbenzyl alcohol;1′-Hydroxyestragole;p-Methoxyphenyl vinyl carbinol;1-(4-Methoxyphenyl)prop-2-en-1-ol;1-(4-Methoxyphenyl)-2-propenol;3-Hydroxy-3-(4-methoxyphenyl)propene;66821-63-4

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1′-Hydroxyestragole Basic Attributes

Molecular Weight：

164.20 g/mol

Exact Mass：

164.20

DSSTox ID：

DTXSID6020723

Characteristics

PSA：

29.5 Å²

Boiling Point：

129-130 °C @ Press: 12 Torr

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P272, P280, P281, P301+P312, P302+P352, P308+P313, P321, P330, P333+P313, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

1'-hydroxyestragole

Computed Properties

Molecular Weight:164.20
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:29.5
Heavy Atom Count:12
Complexity:137
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1′-Hydroxyestragole

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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