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Chemical ID: 7164471
Chemical ID:
7164471
Name [?]:
4-cyclopropylbenzoate
SMILES [?]:
c1cc(ccc1C2CC2)C(=O)[O-]
InChi [?]:
InChI=1/C10H10O2/c11-10(12)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:8,9,1,5,2,4,7,6,3,10,11,12/E:(1,2)(3,4)(5,6)(11,12)/rA:12nCCCCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s6;s7;s7s8;s3;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9O2- |
All Atoms: | 21 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.8201 |
Area: | 331.112 |
Solvation: | -43.0979 |
Coulombic: | -1.47777 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 161.177 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.22 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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