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3-methyl-1-phenylbutane-1,4-diol

3-methyl-1-phenylbutane-1,4-diol structure

CAS No:
30414-28-9
Formula:
C11H16O2
Chemical Name:
3-methyl-1-phenylbutane-1,4-diol
Synonyms:
3-Methyl-1-phenyl-1,4-butanediol;1,4-Butanediol, 3-methyl-1-phenyl-;3-Methyl-1-phenyl-1,4-butanediol #;30414-28-9

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3-methyl-1-phenylbutane-1,4-diol Basic Attributes

Molecular Weight：

180.24 g/mol

Exact Mass：

180.115029749 g/mol

Characteristics

PSA：

40.5 Å²

XLogP3：

1.7385

Computed Properties

Molecular Weight:180.24
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:180.115029749
Monoisotopic Mass:180.115029749
Topological Polar Surface Area:40.5
Heavy Atom Count:13
Complexity:130
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

131472-91-8

30414-28-9

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Guide of 3-methyl-1-phenylbutane-1,4-diol

Basic Attributes
Characteristics
Computed Properties
Synthesis Route

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