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Chemical ID: 4260786
Chemical ID:
4260786
Name [?]:
2-phenyl-1,3-dioxolane
SMILES [?]:
c1ccc(cc1)C2OCCO2
InChi [?]:
InChI=1/C9H10O2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9H,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,10,4,7,8,11/E:(2,3)(4,5)(6,7)(10,11)/rA:11nCCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s7s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.85763 |
Area: | 305.686 |
Solvation: | -2.78452 |
Coulombic: | -18.8957 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 150.174 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.57 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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