Chemical ID: 6529522

CC(CCO)O
Chemical ID:
6529522
Name [?]:
butane-1,3-diol
SMILES [?]:
CC(CCO)O
InChi [?]:
InChI=1/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,2,5,6/rA:6cCCCCOO/rB:s1;s2;s3;s4;s2;/rC:;;;;;;

Chemical Details

Atom Count
Formula:C4H10O2
All Atoms:6
Heavy Atoms:6
Chiral Atoms:1
ZAP Information [?]
Total:3.56894
Area:242.618
Solvation:-2.49651
Coulombic:-33.19
Bond Count [?]
All:5
Single:5
Double:0
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:90.121
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:-0.39
LogP (Chemaxon):-0.24

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue