Chemical ID: 7225256

C[NH2+]CC(c1ccc(c(c1)[O-])O)O
Chemical ID:
7225256
Name [?]:
2-hydroxy-5-(1-hydroxy-2-methylammonio-ethyl)-phenolate
SMILES [?]:
C[NH2+]CC(c1ccc(c(c1)[O-])O)O
InChi [?]:
InChI=1/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
InChi Info:
AuxInfo=1/1/N:1,6,7,10,3,5,8,9,4,2,12,11,13/rA:13cCN+CCCCCCCCO-OO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s8;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13NO3
All Atoms:26
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:-47.5205
Area:359.967
Solvation:-56.5197
Coulombic:-3.94496
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:183.204
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:0.55
LogP (Chemaxon):-0.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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