Chemical ID: 4559121

Cc1c(c2c(c(c1O)C)CCC(O2)(C)C(=O)O)C
Chemical ID:
4559121
Name [?]:
6-hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid
SMILES [?]:
Cc1c(c2c(c(c1O)C)CCC(O2)(C)C(=O)O)C
InChi [?]:
InChI=1/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,18,9,14,10,11,2,3,6,5,7,4,15,12,8,16,17,13/E:(16,17)/rA:18cCCCCCCCOCCCCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;s10;s11;s4s12;s12;s12;d15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.1579
Area:409.36
Solvation:-3.07611
Coulombic:-51.825
Bond Count [?]
All:19
Single:15
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:250.29
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.01
LogP (Chemaxon):3.23

Name Annotations

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Descriptor Annotations

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