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2-nitrooctane

2-nitrooctane structure

CAS No:
4609-91-0
Formula:
C8H17NO2
Chemical Name:
2-nitrooctane
Synonyms:
2-nitrooctane;4609-91-0;NSC3655;SCHEMBL1151349;DTXSID30277708;NSC-3655;AKOS024339162;MCULE-7738350335

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2-nitrooctane Basic Attributes

Molecular Weight：

159.23 g/mol

Exact Mass：

159.125928785 g/mol

NSC Number：

3655

DSSTox ID：

DTXSID30277708

Characteristics

PSA：

45.8 Å²

Computed Properties

Molecular Weight:159.23
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:159.125928785
Monoisotopic Mass:159.125928785
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:109
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-nitrooctane

Basic Attributes
Characteristics
Computed Properties

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