Chemical ID: 4900903

Cc1c(c(=O)c2ccc(cc2o1)OC(=O)C3CC3)c4ccccc4
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

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Descriptor Annotations

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