Chemical ID: 6693002

c1cc(c(cc1C(CO)O)O)O
Chemical ID:
6693002
Name [?]:
4-(1,2-dihydroxyethyl)benzene-1,2-diol
SMILES [?]:
c1cc(c(cc1C(CO)O)O)O
InChi [?]:
InChI=1/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2
InChi Info:
AuxInfo=1/0/N:1,2,5,8,6,3,4,7,9,12,11,10/rA:12cCCCCCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s7;s4;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10O4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:2.83838
Area:332.683
Solvation:-5.47869
Coulombic:-64.8351
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:170.163
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:0.22
LogP (Chemaxon):0.57

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Descriptor Annotations

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