Chemical ID: 4559029

CC1=CC(=O)c2c(cccc2O)C1=O
Chemical ID:
4559029
Name [?]:
5-hydroxy-2-methyl-naphthalene-1,4-dione
SMILES [?]:
CC1=CC(=O)c2c(cccc2O)C1=O
InChi [?]:
InChI=1/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,3,2,7,11,4,6,13,12,5,14/rA:14nCCCCOCCCCCCOCO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s2s7;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.82962
Area:336.188
Solvation:-3.57509
Coulombic:-31.3717
Bond Count [?]
All:15
Single:9
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:188.179
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.18
LogP (Chemaxon):2.36

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Descriptor Annotations

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