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Chemical ID: 6530674
Chemical ID:
6530674
Name [?]:
diethyl 2-acetamido-2-(hydroxymethyl)propanedioate
SMILES [?]:
CCOC(=O)C(CO)(C(=O)OCC)NC(=O)C
InChi [?]:
InChI=1/C10H17NO6/c1-4-16-8(14)10(6-12,11-7(3)13)9(15)17-5-2/h12H,4-6H2,1-3H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,13,17,2,12,7,15,4,9,6,14,8,16,5,10,3,11/E:(1,2)(4,5)(8,9)(14,15)(16,17)/rA:17nCCOCOCCOCOOCCNCOC/rB:s1;s2;s3;d4;s4;s6;s7;s6;d9;s9;s11;s12;s6;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17NO6 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.82469 |
Area: | 431.885 |
Solvation: | -5.97243 |
Coulombic: | -73.6446 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 247.245 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | -0.21 |
LogP (Chemaxon): | -1.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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