Chemical ID: 4255277

CC(C(=O)O)Oc1ccccc1C=O
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

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Descriptor Annotations

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