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Chemical ID: 4952824
Chemical ID:
4952824
Name [?]:
ethyl 6,7-dimethoxy-4-oxo-tetralin-2-carboxylate
SMILES [?]:
CCOC(=O)C1Cc2cc(c(cc2C(=O)C1)OC)OC
InChi [?]:
InChI=1/C15H18O5/c1-4-20-15(17)10-5-9-7-13(18-2)14(19-3)8-11(9)12(16)6-10/h7-8,10H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,2,7,16,9,12,8,6,13,14,10,11,4,15,5,19,17,3/rA:20cCCOCOCCCCCCCCCOCOCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s6s14;s11;s17;s10;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18O5 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.81046 |
Area: | 474.274 |
Solvation: | -6.04637 |
Coulombic: | -38.3481 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 278.3 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.25 |
LogP (Chemaxon): | 1.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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