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1-Phenylethylhydrogenphthalate

1-Phenylethylhydrogenphthalate structure

CAS No:
33533-53-8
Formula:
C16H14O4
Chemical Name:
1-Phenylethylhydrogenphthalate
Synonyms:
1,2-Benzenedicarboxylic acid, Mono(1-phenylethyl) ester;1-Phenylethyl hydrogen phthalate;PHTHALIC ACID MONO-(1-PHENYL-ETHYL) ESTER;1,2-Benzenedicarboxylic acid, 1-(1-phenylethyl) ester

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1-Phenylethylhydrogenphthalate Basic Attributes

Molecular Weight：

270.28

Exact Mass：

270.08920892 g/mol

NSC Number：

108264|295551

Characteristics

PSA：

63.60000

XLogP3：

3.30280

Density：

1.240±0.06 g/cm3

Melting Point：

83-84 °C

Boiling Point：

437.7±28.0 °C(Predicted)

Flash Point：

162.7ºC

PKA：

3.34±0.36

Safety Information

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:270.28
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:270.08920892
Monoisotopic Mass:270.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:20
Complexity:346
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Phenylethylhydrogenphthalate

Basic Attributes
Characteristics
Safety Information
Computed Properties

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