Chemical ID: 7090028

COc1ccccc1C(=O)CC(=O)OC
Chemical ID:
7090028
Name [?]:
methyl 3-(2-methoxyphenyl)-3-oxo-propanoate
SMILES [?]:
COc1ccccc1C(=O)CC(=O)OC
InChi [?]:
InChI=1/C11H12O4/c1-14-10-6-4-3-5-8(10)9(12)7-11(13)15-2/h3-6H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,6,5,7,4,11,8,9,3,12,10,13,2,14/rA:15nCOCCCCCCCOCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O4
All Atoms:27
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:3.46219
Area:382.996
Solvation:-6.11271
Coulombic:-29.3388
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:208.211
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.88
LogP (Chemaxon):0.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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