Chemical ID: 7344517

COc1ccc2c(cc(=O)oc2c1)CC(=O)NCCC(=O)O
Chemical ID:
7344517
Name [?]:
3-[2-(7-methoxy-2-oxo-chromen-4-yl)acetyl]aminopropanoic acid
SMILES [?]:
COc1ccc2c(cc(=O)oc2c1)CC(=O)NCCC(=O)O
InChi [?]:
InChI=1/C15H15NO6/c1-21-10-2-3-11-9(7-15(20)22-12(11)8-10)6-13(17)16-5-4-14(18)19/h2-3,7-8H,4-6H2,1H3,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,5,19,18,14,8,13,7,3,6,12,15,20,9,17,16,21,22,10,2,11/E:(18,19)/rA:22nCOCCCCCCCOOCCCCONCCCOO/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;d3s12;s7;s14;d15;s15;s17;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15NO6
All Atoms:37
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.35675
Area:511.33
Solvation:-6.4265
Coulombic:-69.1092
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.283
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.36
LogP (Chemaxon):0.6

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