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4-Hydroxybut-2-ynoicacid

4-Hydroxybut-2-ynoicacid structure

CAS No:
7218-52-2
Formula:
C4H4O3
Chemical Name:
4-Hydroxybut-2-ynoicacid
Synonyms:
4-hydroxybut-2-ynoic acid;4-hydroxy-2-butynoic acid;4-HYDROXY-BUT-2-YNOIC ACID;Oxymethylpropiolsaure;NSC620042;4-Hydroxybut-2-ynoicacid;4-oxidanylbut-2-ynoic acid;2-Butynoic acid, 4-hydroxy-;SCHEMBL6585974;CHEMBL1994370
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-Hydroxybut-2-ynoicacid Basic Attributes

Molecular Weight：

100.07300

Exact Mass：

100.01600

NSC Number：

620042

DSSTox ID：

DTXSID00326873

HScode：

2918199090

Characteristics

PSA：

57.53000

XLogP3：

-0.5

Density：

1.429 g/cm3

Melting Point：

115-116 °C

Boiling Point：

319.2ºC at 760 mmHg

Flash Point：

161ºC

Safety Information

hazard class code：

R36/37/38

safety instructions：

26-36/37/39

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:100.07
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:100.016043985
Monoisotopic Mass:100.016043985
Topological Polar Surface Area:57.5
Heavy Atom Count:7
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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