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1,1,1-trichloro-2-hydroxy-6-methylheptan-4-one

1,1,1-trichloro-2-hydroxy-6-methylheptan-4-one structure

CAS No:
22703-72-6
Formula:
C8H13Cl3O2
Chemical Name:
1,1,1-trichloro-2-hydroxy-6-methylheptan-4-one
Synonyms:
NSC83014;22703-72-6;1,1,1-trichloro-2-hydroxy-6-methyl-4-heptanone;NSC-83014;1,1,1-trichloro-2-hydroxy-6-methylheptan-4-one;SCHEMBL7117942;CHEMBL1985065;DTXSID80292466;NCI60_041819

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1,1,1-trichloro-2-hydroxy-6-methylheptan-4-one Basic Attributes

Molecular Weight：

247.5 g/mol

Exact Mass：

245.998113 g/mol

NSC Number：

83014

DSSTox ID：

DTXSID80292466

Characteristics

PSA：

37.3 Å²

Computed Properties

Molecular Weight:247.5
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:245.998113
Monoisotopic Mass:245.998113
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:175
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1,1-trichloro-2-hydroxy-6-methylheptan-4-one

Basic Attributes
Characteristics
Computed Properties

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