Chemical ID: 4728939

CCC(=O)c1cc(ccc1O)O
Chemical ID:
4728939
Name [?]:
1-(2,5-dihydroxyphenyl)propan-1-one
SMILES [?]:
CCC(=O)c1cc(ccc1O)O
InChi [?]:
InChI=1/C9H10O3/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,10,12H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,9,6,7,5,3,10,12,4,11/rA:12nCCCOCCCCCCOO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.25016
Area:326.142
Solvation:-3.90338
Coulombic:-38.1432
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:166.174
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.31
LogP (Chemaxon):2.06

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Descriptor Annotations

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