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2-nitro-2-propan-2-ylpropane-1,3-diol

2-nitro-2-propan-2-ylpropane-1,3-diol structure

CAS No:
62155-31-1
Formula:
C6H13NO4
Chemical Name:
2-nitro-2-propan-2-ylpropane-1,3-diol
Synonyms:
2-Nitro-2-isopropyl-1,3-propanediol;2-isopropyl-2-nitro-1,3-propanediol;62155-31-1;2-nitro-2-propan-2-ylpropane-1,3-diol;SCHEMBL9779354;DTXSID20211212;ZINC2173693;AKOS024339161;MCULE-1790850239

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2-nitro-2-propan-2-ylpropane-1,3-diol Basic Attributes

Molecular Weight：

163.17 g/mol

Exact Mass：

163.08445790 g/mol

DSSTox ID：

DTXSID20211212

Characteristics

PSA：

86.3 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:163.17
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:163.08445790
Monoisotopic Mass:163.08445790
Topological Polar Surface Area:86.3
Heavy Atom Count:11
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-nitro-2-propan-2-ylpropane-1,3-diol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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