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Chemical ID: 4280384
Chemical ID:
4280384
Name [?]:
(2-phenylcyclopropyl)methyl acetate
SMILES [?]:
CC(=O)OCC1CC1c2ccccc2
InChi [?]:
InChI=1/C12H14O2/c1-9(13)14-8-11-7-12(11)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,7,5,2,9,6,8,3,4/E:(3,4)(5,6)/rA:14cCCOOCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s6s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.63104 |
Area: | 381.428 |
Solvation: | -1.90467 |
Coulombic: | -19.4709 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 190.238 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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