Chemical ID: 4587862

CCCOc1ccc(cc1)C(=O)NCC(=O)O
Chemical ID:
4587862
Name [?]:
2-(4-propoxybenzoyl)aminoacetic acid
SMILES [?]:
CCCOc1ccc(cc1)C(=O)NCC(=O)O
InChi [?]:
InChI=1/C12H15NO4/c1-2-7-17-10-5-3-9(4-6-10)12(16)13-8-11(14)15/h3-6H,2,7-8H2,1H3,(H,13,16)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,7,9,6,10,3,14,8,5,15,11,13,16,17,12,4/E:(3,4)(5,6)(14,15)/rA:17nCCCOCCCCCCCONCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.61543
Area:447.314
Solvation:-3.56742
Coulombic:-56.236
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:237.252
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.51
LogP (Chemaxon):1.04

Name Annotations

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Descriptor Annotations

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