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3-Phenylisoxazole-5-carbaldehyde

3-Phenylisoxazole-5-carbaldehyde structure

CAS No:
72418-40-7
Formula:
C10H7NO2
Chemical Name:
3-Phenylisoxazole-5-carbaldehyde
Synonyms:
3-phenyl-1,2-oxazole-5-carbaldehyde;

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3-Phenylisoxazole-5-carbaldehyde Basic Attributes

Molecular Weight：

173.16800

Exact Mass：

173.047678466

DSSTox ID：

DTXSID60463657

HScode：

2934999090

Characteristics

PSA：

43.10000

XLogP3：

2.15410

Density：

1.216g/cm3

Melting Point：

72.5-74ºC

Boiling Point：

361.5ºC at 760 mmHg

Flash Point：

172.4ºC

Refractive Index：

1.588

Safety Information

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:173.17
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:173.047678466
Monoisotopic Mass:173.047678466
Topological Polar Surface Area:43.1
Heavy Atom Count:13
Complexity:178
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Phenylisoxazole-5-carbaldehyde

Basic Attributes
Characteristics
Safety Information
Computed Properties

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