Chemical ID: 6529624

c1ccc(cc1)C2CO2
Chemical ID:
6529624
Name [?]:
2-phenyloxirane
SMILES [?]:
c1ccc(cc1)C2CO2
InChi [?]:
InChI=1/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,4,7,9/E:(2,3)(4,5)/rA:9cCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s7s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8O
All Atoms:9
Heavy Atoms:9
Chiral Atoms:1
ZAP Information [?]
Total:4.61697
Area:276.002
Solvation:-2.28307
Coulombic:-9.93257
Bond Count [?]
All:10
Single:7
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:120.149
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.62
LogP (Chemaxon):1.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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