Chemical ID: 7433034

CC1(C(=CBr)CCC1(C)C(=O)O)C
Chemical ID:
7433034
Name [?]:
3-(bromomethylene)-1,2,2-trimethyl-cyclopentane-1-carboxylic acid
SMILES [?]:
CC1(C(=CBr)CCC1(C)C(=O)O)C
InChi [?]:
InChI=1/C10H15BrO2/c1-9(2)7(6-11)4-5-10(9,3)8(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,9,6,7,4,3,10,2,8,5,11,12/E:(1,2)(12,13)/rA:13cCCCCBrCCCCCOOC/rB:s1;s2;w3;s4;s3;s6;s2s7;s8;s8;d10;s10;s2;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15BrO2
All Atoms:28
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:7.0386
Area:340.318
Solvation:-1.46936
Coulombic:-27.9983
Bond Count [?]
All:13
Single:11
Double:2
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:247.129
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.22
LogP (Chemaxon):3.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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