2-Nitro-1,3-propanediol
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2-Nitro-1,3-propanediol
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CAS No:
1794-90-7
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Formula:
C3H7NO4
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Chemical Name:
2-Nitro-1,3-propanediol
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Synonyms:
1,3-Propanediol,2-nitro-;2-Nitro-1,3-propanediol;128128-18-7
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CAS No:
Characteristics
86.28000
-0.86050
1.404g/cm3
58-59 °C
157-158 °C @ Press: 7 Torr
176.8ºC
1.491
9.56E-07mmHg at 25°C
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:121.09
XLogP3:-1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:121.03750770
Monoisotopic Mass:121.03750770
Topological Polar Surface Area:86.3
Heavy Atom Count:8
Complexity:73.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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