Chemical ID: 4683625

c1ccc(cc1)CC2OCCO2
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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