Chemical ID: 4731793

CCCCOc1cc(ccc1OC)C(=O)O
Chemical ID:
4731793
Name [?]:
3-butoxy-4-methoxy-benzoic acid
SMILES [?]:
CCCCOc1cc(ccc1OC)C(=O)O
InChi [?]:
InChI=1/C12H16O4/c1-3-4-7-16-11-8-9(12(13)14)5-6-10(11)15-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,13,2,3,9,10,4,7,8,11,6,14,15,16,12,5/E:(13,14)/rA:16nCCCCOCCCCCCOCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s8;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.99204
Area:424.922
Solvation:-4.631
Coulombic:-42.0985
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:224.253
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.55
LogP (Chemaxon):2.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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