Chemical ID: 7164471

c1cc(ccc1C2CC2)C(=O)[O-]
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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