Chemical ID: 6756757

C1COCC[NH+]1CCC(=O)[O-]
Chemical ID:
6756757
Name [?]:
3-(1-oxa-4-azoniacyclohex-4-yl)propanoate
SMILES [?]:
C1COCC[NH+]1CCC(=O)[O-]
InChi [?]:
InChI=1/C7H13NO3/c9-7(10)1-2-8-3-5-11-6-4-8/h1-6H2,(H,9,10)
InChi Info:
AuxInfo=1/1/N:8,7,1,5,2,4,9,6,10,11,3/E:(3,4)(5,6)(9,10)/rA:11nCCOCCN+CCCOO-/rB:s1;s2;s3;s4;s1s5;s6;s7;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H13NO3
All Atoms:24
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-34.6376
Area:320.028
Solvation:-42.6383
Coulombic:-8.16845
Bond Count [?]
All:11
Single:10
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:159.183
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-1.28
LogP (Chemaxon):-3.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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