Chemical ID: 4952824

CCOC(=O)C1Cc2cc(c(cc2C(=O)C1)OC)OC
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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