Chemical ID: 7252335

COCc1cc(=O)oc2c1ccc(c2)OC
Chemical ID:
7252335
Name [?]:
7-methoxy-4-(methoxymethyl)chromen-2-one
SMILES [?]:
COCc1cc(=O)oc2c1ccc(c2)OC
InChi [?]:
InChI=1/C12H12O4/c1-14-7-8-5-12(13)16-11-6-9(15-2)3-4-10(8)11/h3-6H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,12,11,5,14,3,4,13,10,9,6,7,2,15,8/rA:16nCOCCCCOOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s4s9;d10;s11;d12;d9s13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12O4
All Atoms:28
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.23628
Area:393.715
Solvation:-4.60659
Coulombic:-33.1622
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:220.221
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.32
LogP (Chemaxon):1.6

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Descriptor Annotations

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