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Chemical ID: 4677772
Chemical ID:
4677772
Name [?]:
2-(4-methoxyphenyl)propanoic acid
SMILES [?]:
CC(c1ccc(cc1)OC)C(=O)O
InChi [?]:
InChI=1/C10H12O3/c1-7(10(11)12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,10,4,8,5,7,2,3,6,11,12,13,9/E:(3,4)(5,6)(11,12)/rA:13cCCCCCCCCOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s2;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.49938 |
Area: | 348.128 |
Solvation: | -3.2038 |
Coulombic: | -34.1094 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 180.2 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.58 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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