Chemical ID: 5113949

c1cc2c(cc1CC=O)OCO2
Chemical ID:
5113949
Name [?]:
2-benzo[1,3]dioxol-5-ylacetaldehyde
SMILES [?]:
c1cc2c(cc1CC=O)OCO2
InChi [?]:
InChI=1/C9H8O3/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,4-5H,3,6H2
InChi Info:
AuxInfo=1/0/N:1,2,7,8,5,11,6,3,4,9,12,10/rA:12nCCCCCCCCOOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s4;s10;s3s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.34526
Area:323.446
Solvation:-3.7409
Coulombic:-22.5866
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:164.158
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.62
LogP (Chemaxon):0.95

Name Annotations

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Descriptor Annotations

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