Chemical ID: 6049213

c1cc2c(cc1O)CCC(=O)C2
Chemical ID:
6049213
Name [?]:
6-hydroxytetralin-2-one
SMILES [?]:
c1cc2c(cc1O)CCC(=O)C2
InChi [?]:
InChI=1/C10H10O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1,3,6,11H,2,4-5H2
InChi Info:
AuxInfo=1/0/N:2,8,1,9,12,5,3,4,6,10,7,11/rA:12nCCCCCCOCCCOC/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;d10;s3s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.14112
Area:314.963
Solvation:-2.73296
Coulombic:-22.783
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:162.185
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.98
LogP (Chemaxon):2.14

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Experimental Annotations

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Descriptor Annotations

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