Chemical ID: 6047238

CN(CCCC(=O)OC)N=O
Chemical ID:
6047238
Name [?]:
methyl 4-(methyl-nitroso-amino)butanoate
SMILES [?]:
CN(CCCC(=O)OC)N=O
InChi [?]:
InChI=1/C6H12N2O3/c1-8(7-10)5-3-4-6(9)11-2/h3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,4,5,3,6,10,2,7,11,8/rA:11nCNCCCCOOCNO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s2;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H12N2O3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.09689
Area:347.408
Solvation:-2.58829
Coulombic:-20.9285
Bond Count [?]
All:10
Single:8
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:160.171
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:-0.06
LogP (Chemaxon):0.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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