Chemical ID: 7189402

CCOC(=O)C1CC1c2ccc(cc2)C
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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Descriptor Annotations

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