Chemical ID: 6680834

COc1cc(ccc1O)C(=O)OC
Chemical ID:
6680834
Name [?]:
methyl 4-hydroxy-3-methoxy-benzoate
SMILES [?]:
COc1cc(ccc1O)C(=O)OC
InChi [?]:
InChI=1/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,6,7,4,5,8,3,10,9,11,2,12/rA:13nCOCCCCCCOCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;d10;s10;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.88548
Area:349.996
Solvation:-3.86443
Coulombic:-42.5889
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:182.173
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.47
LogP (Chemaxon):1.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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