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6-BENZOYL-3,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXYLICACID

6-BENZOYL-3,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXYLICACID structure

CAS No:
93015-58-8
Formula:
C16H18O3
Chemical Name:
6-BENZOYL-3,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXYLICACID
Synonyms:
6-benzoyl-3,4-dimethyl-3-cyclohexene-1-carboxylic acid;6-benzoyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid;6-Benzoyl-3,4-dimethylcyclohex-3-enecarboxylic acid;3-Cyclohexene-1-carboxylicacid, 6-benzoyl-3,4-dimethyl-;6-BENZOYL-3,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXYLICACID;SMR000024008;ChemDiv2_000593;Oprea1_471884;CBDivE_010382;MLS000087788

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6-BENZOYL-3,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXYLICACID Basic Attributes

Molecular Weight：

258.31

Exact Mass：

258.12600

DSSTox ID：

DTXSID60385108

HScode：

2918300090

Characteristics

PSA：

54.4

XLogP3：

3.31650

Density：

1.148g/cm3

Boiling Point：

423.1ºC at 760 mmHg

Flash Point：

223.8ºC

Refractive Index：

1.557

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:258.31
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:258.125594432
Monoisotopic Mass:258.125594432
Topological Polar Surface Area:54.4
Heavy Atom Count:19
Complexity:402
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-BENZOYL-3,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

6-BENZOYL-3,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXYLICACID

SDS

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