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Chemical ID: 6405143

Chemical ID:

6405143

Name [?]:

2,2-dimethoxy-8-oxa-7,9-diazabicyclo[4.3.0]nona-6,9-dien-3-ol

SMILES [?]:

COC1(c2c(non2)CCC1O)OC

InChi [?]:

InChI=1/C8H12N2O4/c1-12-8(13-2)6(11)4-3-5-7(8)10-14-9-5/h6,11H,3-4H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,14,9,10,5,11,4,3,6,8,12,2,13,7/E:(1,2)(12,13)/rA:14cCOCCCNONCCCOOC/rB:s1;s2;s3;s4;d5;s6;d4s7;s5;s9;s3s10;s11;s3;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₈H₁₂N₂O₄
All Atoms:	14
Heavy Atoms:	14
Chiral Atoms:	1

ZAP Information [?]

Total:	3.10924
Area:	336.508
Solvation:	-5.30345
Coulombic:	-35.4722

Bond Count [?]

All:	15
Single:	13
Double:	2
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	200.192
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	-0.08
LogP (Chemaxon):	0.71

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value