Chemical ID: 6417308

c1cc2c(cc1C(CN)O)OCCO2
Chemical ID:
6417308
Name [?]:
2-amino-1-(2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-8-yl)ethanol
SMILES [?]:
c1cc2c(cc1C(CN)O)OCCO2
InChi [?]:
InChI=1/C10H13NO3/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8,12H,3-4,6,11H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,5,8,6,7,3,4,9,10,14,11/rA:14cCCCCCCCCNOOCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s7;s4;s11;s12;s3s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.10214
Area:358.614
Solvation:-3.86321
Coulombic:-45.3515
Bond Count [?]
All:15
Single:12
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:195.215
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.16
LogP (Chemaxon):0.11

Name Annotations

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Descriptor Annotations

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