Chemical ID: 4260253

CNCC(=O)c1ccc(c(c1)O)O
Chemical ID:
4260253
Name [?]:
1-(3,4-dihydroxyphenyl)-2-methylamino-ethanone
SMILES [?]:
CNCC(=O)c1ccc(c(c1)O)O
InChi [?]:
InChI=1/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,11,3,6,9,10,4,2,13,12,5/rA:13nCNCCOCCCCCCOO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.20854
Area:355.468
Solvation:-4.67816
Coulombic:-47.4506
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:181.189
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.77
LogP (Chemaxon):-0.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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