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Chemical ID: 4940820
Chemical ID:
4940820
Name [?]:
phenyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILES [?]:
c1ccc(cc1)OC(=O)C=Cc2ccc(c(c2)O)O
InChi [?]:
InChI=1/C15H12O4/c16-13-8-6-11(10-14(13)17)7-9-15(18)19-12-4-2-1-3-5-12/h1-10,16-17H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,11,14,10,17,12,4,15,16,8,19,18,9,7/E:(2,3)(4,5)/rA:19nCCCCCCOCOCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.64992 |
Area: | 427.793 |
Solvation: | -4.04492 |
Coulombic: | -52.4981 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 256.253 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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