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Glycerol 2-mononitrate

Glycerol 2-mononitrate structure

CAS No:
620-12-2
Formula:
C3H7NO5
Chemical Name:
Glycerol 2-mononitrate
Synonyms:
1,2,3-Propanetriol,2-nitrate;Glycerol,2-nitrate;Glycerol 2-mononitrate;2-Glyceryl mononitrate;Glycerin 2-nitrate;2-(Nitrooxy)propane-1,3-diol
Categories:
Organic Chemistry > Nitro Compounds

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Glycerol 2-mononitrate Basic Attributes

Molecular Weight：

137.09100

Exact Mass：

137.09

UNII：

K3K9AJ5J41

DSSTox ID：

DTXSID80211031

HScode：

2920909090

Characteristics

PSA：

95.51000

XLogP3：

-0.8

Density：

1.48g/cm3

Melting Point：

54 °C

Boiling Point：

157.5 °C

Flash Point：

49.1ºC

Refractive Index：

1.489

Safety Information

Transport codes：

UN 1648 3 / PGII

wgk germany：

safety instructions：

16-36/37

Marks：

F,Xn

Precautionary statement(s)：

P210-P305 + P351 + P338

Hazard Statements：

H225-H302 + H332-H319

Drug Information

MeSH Entry Terms：

glycerol-2-nitrate

Computed Properties

Molecular Weight:137.09
XLogP3:-0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:137.03242232
Monoisotopic Mass:137.03242232
Topological Polar Surface Area:95.5
Heavy Atom Count:9
Complexity:84.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes