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Chemical ID: 7114492
Chemical ID:
7114492
Name [?]:
2-methyl-2,3-dihydrobenzofuran-5-carbaldehyde
SMILES [?]:
CC1Cc2cc(ccc2O1)C=O
InChi [?]:
InChI=1/C10H10O2/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-3,5-7H,4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,3,5,11,2,6,4,9,12,10/rA:12cCCCCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10O2 |
All Atoms: | 22 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.95908 |
Area: | 323.513 |
Solvation: | -3.12874 |
Coulombic: | -14.6092 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 162.185 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.94 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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