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3-Benzyl-3-methylpentanoicacid

3-Benzyl-3-methylpentanoicacid structure

CAS No:
53663-16-4
Formula:
C13H18O2
Chemical Name:
3-Benzyl-3-methylpentanoicacid
Synonyms:
3-benzyl-3-methylpentanoic acid;3-methyl-3-(phenylmethyl)pentanoic acid;NSC11280;CTK4J8541;DTXSID30279101;3-benzyl-3-methyl-pentanoic acid;NSC-11280;AKOS015917309;Benzenebutanoic acid, b-ethyl-b-methyl-;FT-0653151

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3-Benzyl-3-methylpentanoicacid Basic Attributes

Molecular Weight：

206.28082

Exact Mass：

206.13100

NSC Number：

11280

DSSTox ID：

DTXSID30279101

HScode：

2916399090

Characteristics

PSA：

37.30000

XLogP3：

3.12010

Density：

1.034g/cm3

Boiling Point：

322.5ºC at 760 mmHg

Flash Point：

219.5ºC

Refractive Index：

1.518

Computed Properties

Molecular Weight:206.28
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:206.130679813
Monoisotopic Mass:206.130679813
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:207
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Benzyl-3-methylpentanoicacid

Basic Attributes
Characteristics
Computed Properties

3-Benzyl-3-methylpentanoicacid

SDS

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