Chemical ID: 4123697

COc1ccc2c(c1)C=C(CO2)C=O
Chemical ID:
4123697
Name [?]:
6-methoxy-2H-chromene-3-carbaldehyde
SMILES [?]:
COc1ccc2c(c1)C=C(CO2)C=O
InChi [?]:
InChI=1/C11H10O3/c1-13-10-2-3-11-9(5-10)4-8(6-12)7-14-11/h2-6H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,9,8,13,11,10,7,3,6,14,2,12/rA:14nCOCCCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s6s11;s10;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.56865
Area:352.294
Solvation:-4.2387
Coulombic:-21.771
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:190.195
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.43
LogP (Chemaxon):0.78

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Descriptor Annotations

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