Chemical ID: 5757616

CCC(C(=O)O)Oc1ccccc1
Chemical ID:
5757616
Name [?]:
2-phenoxybutanoic acid
SMILES [?]:
CCC(C(=O)O)Oc1ccccc1
InChi [?]:
InChI=1/C10H12O3/c1-2-9(10(11)12)13-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,9,13,8,3,4,5,6,7/E:(4,5)(6,7)(11,12)/rA:13cCCCCOOOCCCCCC/rB:s1;s2;s3;d4;s4;s3;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.19424
Area:348.366
Solvation:-2.51491
Coulombic:-36.8992
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:180.2
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.2
LogP (Chemaxon):2.34

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