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Chemical ID: 4123697
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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