Chemical ID: 7678039

CC1(OC2=C(C3c4ccccc4OCC3CO2)C(=O)O1)C
Chemical ID:
7678039
Name [?]:
None
SMILES [?]:
CC1(OC2=C(C3c4ccccc4OCC3CO2)C(=O)O1)C
InChi [?]:
InChI=1/C16H16O5/c1-16(2)20-14(17)13-12-9(8-19-15(13)21-16)7-18-11-6-4-3-5-10(11)12/h3-6,9,12H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,9,10,8,11,14,16,15,7,12,6,5,18,4,2,19,13,17,20,3/E:(1,2)/rA:21cCCOCCCCCCCCCOCCCOCOOC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s6s14;s15;s4s16;s5;d18;s2s18;s2;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O5
All Atoms:37
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:6.36567
Area:421.033
Solvation:-4.16014
Coulombic:-43.4263
Bond Count [?]
All:24
Single:19
Double:5
Rotors:0
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.92
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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