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Chemical ID: 6693002
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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