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Chemical ID: 5084324
Chemical ID:
5084324
Name [?]:
methyl 2-benzyloxycarbonylaminoacetate
SMILES [?]:
COC(=O)CNC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C11H13NO4/c1-15-10(13)7-12-11(14)16-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,5,10,11,3,7,6,4,8,2,9/E:(3,4)(5,6)/rA:16nCOCOCNCOOCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02945 |
Area: | 432.155 |
Solvation: | -2.77441 |
Coulombic: | -53.3353 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 223.225 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.29 |
LogP (Chemaxon): | 1.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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