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Chemical ID: 4900903
Chemical ID:
4900903
Name [?]:
(2-methyl-4-oxo-3-phenyl-chromen-7-yl) cyclopropanecarboxylate
SMILES [?]:
Cc1c(c(=O)c2ccc(cc2o1)OC(=O)C3CC3)c4ccccc4
InChi [?]:
InChI=1/C20H16O4/c1-12-18(13-5-3-2-4-6-13)19(21)16-10-9-15(11-17(16)23-12)24-20(22)14-7-8-14/h2-6,9-11,14H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,20,24,17,18,8,7,10,2,19,16,9,6,11,3,4,14,5,15,12,13/E:(3,4)(5,6)(7,8)/rA:24nCCCCOCCCCCCOOCOCCCCCCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;d14;s14;s16;s16s17;s3;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2046 |
Area: | 525.88 |
Solvation: | -2.94236 |
Coulombic: | -35.3774 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 320.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.76 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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