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3-BENZOYL-2-THIOPHENECARBOXYLICACID

3-BENZOYL-2-THIOPHENECARBOXYLICACID structure

CAS No:
30006-03-2
Formula:
C12H8O3S
Chemical Name:
3-BENZOYL-2-THIOPHENECARBOXYLICACID
Synonyms:
3-Benzoyl-2-thiophenecarboxylic acid;3-benzoylthiophene-2-carboxylic acid;NSC241104;UNII-Q4K02HKZ9P;Q4K02HKZ9P;3-Benzoyl-2-thiophenecarboxylicacid;NSC 241104;ACMC-1CR5J;SCHEMBL580801;CTK1C4473

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3-BENZOYL-2-THIOPHENECARBOXYLICACID Basic Attributes

Molecular Weight：

232.26

Exact Mass：

232.01900

UNII：

Q4K02HKZ9P

NSC Number：

241104

DSSTox ID：

DTXSID30184084

HScode：

2934999090

Characteristics

PSA：

82.6

XLogP3：

2.67730

Density：

1.369 g/cm3

Melting Point：

150-153℃

Boiling Point：

206-210 °C(lit.)

Flash Point：

90 °C

Refractive Index：

1.643

Safety Information

wgk germany：

hazard class code：

safety instructions：

S36/37/39

RTECS Number：

GW1925000

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

Computed Properties

Molecular Weight:232.26
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:232.01941529
Monoisotopic Mass:232.01941529
Topological Polar Surface Area:82.6
Heavy Atom Count:16
Complexity:284
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-BENZOYL-2-THIOPHENECARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-BENZOYL-2-THIOPHENECARBOXYLICACID

SDS

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