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3-(4-CHLOROPHENYL)-2-OXOPROPANOICACID

3-(4-CHLOROPHENYL)-2-OXOPROPANOICACID structure

CAS No:
3617-01-4
Formula:
C9H7ClO3
Chemical Name:
3-(4-CHLOROPHENYL)-2-OXOPROPANOICACID
Synonyms:
3-(4-Chlorophenyl)-2-oxopropanoic acid;p-Chlorophenylpyruvic acid;p-Chlorphenylbrenztraubensaure;(4-Chlorophenyl)pyruvic acid;SCHEMBL2456763;CTK4H6028;beta-(4-chlorophenyl)pyruvic Acid;ZINC2455558;ARJ102893;AKOS000149081

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3-(4-CHLOROPHENYL)-2-OXOPROPANOICACID Basic Attributes

Molecular Weight：

198.60300

Exact Mass：

198.00800

HScode：

2918300090

Characteristics

PSA：

54.37000

XLogP3：

1.53620

Density：

1.394g/cm3

Boiling Point：

331.8ºC at 760 mmHg

Flash Point：

154.5ºC

Refractive Index：

1.572

Safety Information

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:198.60
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:198.0083718
Monoisotopic Mass:198.0083718
Topological Polar Surface Area:54.4
Heavy Atom Count:13
Complexity:207
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4-CHLOROPHENYL)-2-OXOPROPANOICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(4-CHLOROPHENYL)-2-OXOPROPANOICACID

SDS

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