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Chemical ID: 4683625
Chemical ID:
4683625
Name [?]:
2-benzyl-1,3-dioxolane
SMILES [?]:
c1ccc(cc1)CC2OCCO2
InChi [?]:
InChI=1/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,11,7,4,8,9,12/E:(2,3)(4,5)(6,7)(11,12)/rA:12nCCCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.41489 |
Area: | 330.321 |
Solvation: | -2.84313 |
Coulombic: | -18.2223 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 164.201 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.66 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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