Chemical ID: 6681789

c1ccc(c(c1)CCO)[N+](=O)[O-]
Chemical ID:
6681789
Name [?]:
2-(2-nitrophenyl)ethanol
SMILES [?]:
c1ccc(c(c1)CCO)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H9NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,5,4,10,9,11,12/E:(11,12)/CRV:9.5/rA:12nCCCCCCCCON+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:1.05664
Area:320.993
Solvation:-6.9682
Coulombic:-29.659
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:167.162
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.14
LogP (Chemaxon):1.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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