Chemical ID: 6678699

CC(CC(=O)O)O
Chemical ID:
6678699
Name [?]:
3-hydroxybutanoic acid
SMILES [?]:
CC(CC(=O)O)O
InChi [?]:
InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChi Info:
AuxInfo=1/1/N:1,3,2,4,7,5,6/E:(6,7)/rA:7cCCCCOOO/rB:s1;s2;s3;d4;s4;s2;/rC:;;;;;;;

Chemical Details

Atom Count
Formula:C4H8O3
All Atoms:7
Heavy Atoms:7
Chiral Atoms:1
ZAP Information [?]
Total:3.30087
Area:249.954
Solvation:-2.94799
Coulombic:-41.2428
Bond Count [?]
All:6
Single:5
Double:1
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:104.105
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.5
LogP (Chemaxon):-0.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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