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3-Hydroxy-4-pentenenitrile

3-Hydroxy-4-pentenenitrile structure

CAS No:
27451-36-1
Formula:
C5H7NO
Chemical Name:
3-Hydroxy-4-pentenenitrile
Synonyms:
4-Pentenenitrile,3-hydroxy-;3-Hydroxy-4-pentenenitrile;1-Cyano-2-hydroxy-3-butene;3-Hydroxy-4-cyano-1-butene;2-Hydroxy-3-butenyl cyanide;Cyanohydroxybutene;CHP

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Description

1-Cyano-2-hydroxy-3-butene is a secondary alcohol.

3-Hydroxy-4-pentenenitrile Basic Attributes

Molecular Weight：

97.11520

Exact Mass：

97.12

NSC Number：

321802

HScode：

2926909090

Characteristics

PSA：

44.02000

XLogP3：

0.44698

Density：

0.997g/cm3

Boiling Point：

112 °C @ Press: 10 Torr

Flash Point：

103.176ºC

Refractive Index：

1.453

Vapor Pressure：

0.004mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

1-cyano-2-hydroxy-3-butene

Computed Properties

Molecular Weight:97.12
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:97.052763847
Monoisotopic Mass:97.052763847
Topological Polar Surface Area:44
Heavy Atom Count:7
Complexity:99.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: sulfuryl fluoride; cefepine; sodium pentathol; benzenesulfonic acid; water sds; cl2o7

Guide of 3-Hydroxy-4-pentenenitrile

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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