Chemical ID: 7489921

COC(=O)c1ccc(cc1)OC(=O)C=Cc2ccccc2
Chemical ID:
7489921
Name [?]:
methyl 4-(3-phenylprop-2-enoyloxy)benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)OC(=O)C=Cc2ccccc2
InChi [?]:
InChI=1/C17H14O4/c1-20-17(19)14-8-10-15(11-9-14)21-16(18)12-7-13-5-3-2-4-6-13/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,15,6,10,7,9,14,16,5,8,12,3,13,4,2,11/E:(3,4)(5,6)(8,9)(10,11)/rA:21nCOCOCCCCCCOCOCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O4
All Atoms:35
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.9011
Area:503.763
Solvation:-2.69298
Coulombic:-41.2558
Bond Count [?]
All:22
Single:13
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:282.291
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.73
LogP (Chemaxon):3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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