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Chemical ID: 7090028
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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