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METHYL(4-CYANOPHENYL)ACETATE

METHYL(4-CYANOPHENYL)ACETATE structure

CAS No:
52798-01-3
Formula:
C10H9NO2
Chemical Name:
METHYL(4-CYANOPHENYL)ACETATE
Synonyms:
Benzeneacetic acid, 4-cyano-, Methyl ester;METHYL (4-CYANOPHENYL)ACETATE;METHYL 2-(4-CYANOPHENYL)ACETATE;p-Cyanophenyl acetic acid methyl ester;4-Cyanophenylacetic acid methyl ester
Categories:
Organic Chemistry > Coordination Complexes

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METHYL(4-CYANOPHENYL)ACETATE Basic Attributes

Molecular Weight：

175.18

Exact Mass：

175.063328530 g/mol

DSSTox ID：

DTXSID80363741

Characteristics

PSA：

50.1 Å²

Density：

1.14±0.1 g/cm3

Melting Point：

221 °C

Boiling Point：

289.9±23.0 °C(Predicted)

Safety Information

Transport codes：

3276

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:175.18
XLogP3:1.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:175.063328530
Monoisotopic Mass:175.063328530
Topological Polar Surface Area:50.1
Heavy Atom Count:13
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 52798-01-3

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Guide of METHYL(4-CYANOPHENYL)ACETATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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