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Chemical ID: 6417308
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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Experimental Annotations
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Descriptor Annotations
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