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Chemical ID: 7189402
Chemical ID:
7189402
Name [?]:
ethyl 2-(p-tolyl)cyclopropane-1-carboxylate
SMILES [?]:
CCOC(=O)C1CC1c2ccc(cc2)C
InChi [?]:
InChI=1/C13H16O2/c1-3-15-13(14)12-8-11(12)10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,11,13,10,14,7,12,9,8,6,4,5,3/E:(4,5)(6,7)/rA:15cCCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s6s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16O2 |
All Atoms: | 31 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.60016 |
Area: | 413.123 |
Solvation: | -1.72791 |
Coulombic: | -19.9028 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 204.265 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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