1,4-Cyclohexadiene-1-acetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)-
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1,4-Cyclohexadiene-1-acetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)-
structure -
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CAS No:
26774-89-0
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Formula:
C13H17NO4.Na
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Chemical Name:
1,4-Cyclohexadiene-1-acetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)-
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Synonyms:
1,4-Cyclohexadiene-1-acetic acid,α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-,sodium salt (1:1),(αR)-;1,4-Cyclohexadiene-1-acetic acid,α-[(2-carboxy-1-methylvinyl)amino]-,α-methyl ester,sodium salt,D-;1,4-Cyclohexadiene-1-acetic acid,α-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-,monosodium salt,(R)-;1,4-Cyclohexadiene-1-acetic acid,α-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-,monosodium salt,(αR)-
- Categories:
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CAS No:
1,4-Cyclohexadiene-1-acetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)- Basic Attributes
273.26
273.09800
248-000-1
2922509090
Characteristics
78.46000
0.43860
White to off-white crystalline powder
240 °C (dec.)(lit.)
83 º (c=1, H2O)
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 13 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:273.26
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:273.09770227
Monoisotopic Mass:273.09770227
Topological Polar Surface Area:78.5
Heavy Atom Count:19
Complexity:426
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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