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Chemical ID: 4255277
Chemical ID:
4255277
Name [?]:
2-(2-formylphenoxy)propanoic acid
SMILES [?]:
CC(C(=O)O)Oc1ccccc1C=O
InChi [?]:
InChI=1/C10H10O4/c1-7(10(12)13)14-9-5-3-2-4-8(9)6-11/h2-7H,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,8,13,2,12,7,3,14,4,5,6/E:(12,13)/rA:14cCCCOOOCCCCCCCO/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s12;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.46043 |
Area: | 366.056 |
Solvation: | -3.69097 |
Coulombic: | -42.9086 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.184 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.54 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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