Chemical ID: 5757654

COC(=O)C=Cc1ccc(c(c1)O)O
Chemical ID:
5757654
Name [?]:
methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILES [?]:
COC(=O)C=Cc1ccc(c(c1)O)O
InChi [?]:
InChI=1/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,6,9,5,12,7,10,11,3,14,13,4,2/rA:14nCOCOCCCCCCCCOO/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s11;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.15329
Area:354.534
Solvation:-3.71006
Coulombic:-51.5833
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:194.184
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.85
LogP (Chemaxon):1.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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