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3-Cyanopropionic Acid

3-Cyanopropionic Acid structure

CAS No:
16051-87-9
Formula:
C4H5NO2
Chemical Name:
3-Cyanopropionic Acid
Synonyms:
3-Cyanopropanoic acid; Propanoic acid, 3-cyano-;
Categories:
Chemical Reagents > Organic Reagents

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3-Cyanopropionic Acid Basic Attributes

Molecular Weight：

99.08800

Exact Mass：

99.032028402 g/mol

NSC Number：

97378

DSSTox ID：

DTXSID40294608

HScode：

2926909090

Characteristics

PSA：

61.09000

XLogP3：

0.37478

Density：

1.2g/cm3

Boiling Point：

313.5ºC

Flash Point：

143.4ºC

Refractive Index：

1.447

Vapor Pressure：

0mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H319 (97.44%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:99.09
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:99.032028402
Monoisotopic Mass:99.032028402
Topological Polar Surface Area:61.1
Heavy Atom Count:7
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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16051-87-9 3-cyanopropanoic acid

CAS No.: 16051-87-9

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