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2-butyloctane-1,3-diol

2-butyloctane-1,3-diol structure

CAS No:
55109-62-1
Formula:
C12H26O2
Chemical Name:
2-butyloctane-1,3-diol
Synonyms:
2-butyloctane-1,3-diol;2-butyl-1,3-octanediol;55109-62-1;NSC166474;SCHEMBL730670;DTXSID00304616;AKOS024332634;MCULE-7894423132;NSC-166474

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2-butyloctane-1,3-diol Basic Attributes

Molecular Weight：

202.33 g/mol

Exact Mass：

202.193280068 g/mol

NSC Number：

166474

DSSTox ID：

DTXSID00304616

Characteristics

PSA：

40.5 Å²

Computed Properties

Molecular Weight:202.33
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:202.193280068
Monoisotopic Mass:202.193280068
Topological Polar Surface Area:40.5
Heavy Atom Count:14
Complexity:115
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-butyloctane-1,3-diol

Basic Attributes
Characteristics
Computed Properties

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