Chemical ID: 5789231

Cc1ccc2c(c1)C(=O)CCO2
Chemical ID:
5789231
Name [?]:
6-methylchroman-4-one
SMILES [?]:
Cc1ccc2c(c1)C(=O)CCO2
InChi [?]:
InChI=1/C10H10O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6H,4-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,10,11,7,2,6,8,5,9,12/rA:12nCCCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s5s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.53388
Area:313.469
Solvation:-2.30283
Coulombic:-15.7792
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:162.185
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.83
LogP (Chemaxon):1.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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