Chemical ID: 4940820

c1ccc(cc1)OC(=O)C=Cc2ccc(c(c2)O)O
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

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Descriptor Annotations

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