Chemical ID: 6913031

COC(=O)c1cccc(c1)c2ccc(cc2)O
Chemical ID:
6913031
Name [?]:
methyl 3-(4-hydroxyphenyl)benzoate
SMILES [?]:
COC(=O)c1cccc(c1)c2ccc(cc2)O
InChi [?]:
InChI=1/C14H12O3/c1-17-14(16)12-4-2-3-11(9-12)10-5-7-13(15)8-6-10/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,12,16,13,15,10,11,9,5,14,3,17,4,2/E:(5,6)(7,8)/rA:17nCOCOCCCCCCCCCCCCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12O3
All Atoms:29
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.85194
Area:420.846
Solvation:-2.6692
Coulombic:-37.7764
Bond Count [?]
All:18
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:228.243
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.49
LogP (Chemaxon):2.99

Name Annotations

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Descriptor Annotations

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