Chemical ID: 6047234

COC(=O)C1=CCCN(C1)N=O
Chemical ID:
6047234
Name [?]:
methyl 1-nitroso-5,6-dihydro-2H-pyridine-3-carboxylate
SMILES [?]:
COC(=O)C1=CCCN(C1)N=O
InChi [?]:
InChI=1/C7H10N2O3/c1-12-7(10)6-3-2-4-9(5-6)8-11/h3H,2,4-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,10,5,3,11,9,4,12,2/rA:12nCOCOCCCCNCNO/rB:s1;s2;d3;s3;d5;s6;s7;s8;s5s9;s9;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10N2O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.33632
Area:335.144
Solvation:-2.04228
Coulombic:-23.4881
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:170.166
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:-0.2
LogP (Chemaxon):0.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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