Chemical ID: 4683295

c1cc(ccc1CC(C(=O)[O-])[NH3+])O
Chemical ID:
4683295
Name [?]:
2-azaniumyl-3-(4-hydroxyphenyl)-propanoate
SMILES [?]:
c1cc(ccc1CC(C(=O)[O-])[NH3+])O
InChi [?]:
InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,6,3,8,9,12,13,10,11/E:(1,2)(3,4)(12,13)/rA:13cCCCCCCCCCOO-N+O/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s8;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:-23.319
Area:349.641
Solvation:-32.06
Coulombic:-28.2014
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:181.189
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.1
LogP (Chemaxon):-1.43

Name Annotations

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Descriptor Annotations

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