Chemical ID: 5254636

c1cc(ccc1[N+](=O)[O-])OCCC(=O)O
Chemical ID:
5254636
Name [?]:
3-(4-nitrophenoxy)propanoic acid
SMILES [?]:
c1cc(ccc1[N+](=O)[O-])OCCC(=O)O
InChi [?]:
InChI=1/C9H9NO5/c11-9(12)5-6-15-8-3-1-7(2-4-8)10(13)14/h1-4H,5-6H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,11,6,3,13,7,14,15,8,9,10/E:(1,2)(3,4)(11,12)(13,14)/CRV:10.5/rA:15nCCCCCCN+OO-OCCCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:1.55922
Area:392.767
Solvation:-8.25996
Coulombic:-44.04
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:211.171
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.25
LogP (Chemaxon):1.47

Name Annotations

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Descriptor Annotations

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