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Chemical ID: 4977090
Chemical ID:
4977090
Name [?]:
3-(3-methoxyphenyl)butanoic acid
SMILES [?]:
CC(CC(=O)O)c1cccc(c1)OC
InChi [?]:
InChI=1/C11H14O3/c1-8(6-11(12)13)9-4-3-5-10(7-9)14-2/h3-5,7-8H,6H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,14,9,8,10,3,12,2,7,11,4,5,6,13/E:(12,13)/rA:14cCCCCOOCCCCCCOC/rB:s1;s2;s3;d4;s4;s2;s7;d8;s9;d10;d7s11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.24156 |
Area: | 374.488 |
Solvation: | -3.12065 |
Coulombic: | -33.9541 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.04 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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