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Chemical ID: 7252335
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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