Chemical ID: 4996292

c1cc2c(c(c1)O)C(=O)CCC2=O
Chemical ID:
4996292
Name [?]:
5-hydroxytetralin-1,4-dione
SMILES [?]:
c1cc2c(c(c1)O)C(=O)CCC2=O
InChi [?]:
InChI=1/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,12H,4-5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,10,3,12,5,8,4,13,7,9/rA:13nCCCCCCOCOCCCO/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s10;s3s11;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.23956
Area:319.495
Solvation:-3.74781
Coulombic:-29.2878
Bond Count [?]
All:14
Single:9
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:176.169
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.75
LogP (Chemaxon):0.99

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Descriptor Annotations

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