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4-oxaldehydoylbenzonitrile,hydrate

4-oxaldehydoylbenzonitrile,hydrate structure

CAS No:
19010-28-7
Formula:
C9H7NO3
Chemical Name:
4-oxaldehydoylbenzonitrile,hydrate
Synonyms:
4-Cyanophenylglyoxal hydrate; OR1605; 4-Cyanophenylglyoxalhydrat; 4-oxoacetyl-benzonitrile hydrate; 4-Dihydroxyacetyl-benzonitril; 4-dihydroxyacetyl-benzonitrile;Expand

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4-oxaldehydoylbenzonitrile,hydrate Basic Attributes

Molecular Weight：

177.15700

Exact Mass：

177.042593085

HScode：

2926909090

Characteristics

PSA：

67.16000

XLogP3：

0.87558

Boiling Point：

395.3ºC at 760mmHg

Flash Point：

192.9ºC

Vapor Pressure：

5.86E-07mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36/37/39

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:177.16
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:177.042593085
Monoisotopic Mass:177.042593085
Topological Polar Surface Area:58.9
Heavy Atom Count:13
Complexity:230
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 4-oxaldehydoylbenzonitrile,hydrate

Basic Attributes
Characteristics
Safety Information
Computed Properties

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