Chemical ID: 4971116

c1cc2c(cc1O)COC2=O
Chemical ID:
4971116
Name [?]:
5-hydroxy-3H-isobenzofuran-1-one
SMILES [?]:
c1cc2c(cc1O)COC2=O
InChi [?]:
InChI=1/C8H6O3/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,9H,4H2
InChi Info:
AuxInfo=1/0/N:1,2,5,8,4,6,3,10,7,11,9/rA:11nCCCCCCOCOCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s3s9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6O3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.23653
Area:294.692
Solvation:-3.13078
Coulombic:-34.6671
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:150.131
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.24
LogP (Chemaxon):1.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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