Chemical ID: 4664789

c1ccc2c(c1)ccc3c2C(=O)CCO3
Chemical ID:
4664789
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2C(=O)CCO3
InChi [?]:
InChI=1/C13H10O2/c14-11-7-8-15-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-6H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,13,14,5,4,11,9,10,12,15/rA:15nCCCCCCCCCCCOCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s9s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.28566
Area:344.678
Solvation:-2.3313
Coulombic:-16.8375
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:198.217
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.66
LogP (Chemaxon):2.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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