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Chemical ID: 6543038
Chemical ID:
6543038
Name [?]:
methyl 1-butylazetidine-2-carboxylate
SMILES [?]:
CCCCN1CCC1C(=O)OC
InChi [?]:
InChI=1/C9H17NO2/c1-3-4-6-10-7-5-8(10)9(11)12-2/h8H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,3,7,4,6,8,9,5,10,11/rA:12cCCCCNCCCCOOC/rB:s1;s2;s3;s4;s5;s6;s5s7;s8;d9;s9;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.85562 |
Area: | 355.075 |
Solvation: | -2.02126 |
Coulombic: | -24.527 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 171.237 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.37 |
LogP (Chemaxon): | 1.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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