Chemical ID: 6048292

c1cc2c(c(c1)O)CCC(=O)C2
Chemical ID:
6048292
Name [?]:
5-hydroxytetralin-2-one
SMILES [?]:
c1cc2c(c(c1)O)CCC(=O)C2
InChi [?]:
InChI=1/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-3,12H,4-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,9,8,12,3,10,4,5,11,7/rA:12nCCCCCCOCCCOC/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;d10;s3s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.186
Area:311.456
Solvation:-2.60039
Coulombic:-23.0402
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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Descriptor Annotations

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