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Chemical ID: 6505629

Chemical ID:

6505629

Name [?]:

3-phenylcyclohexane-1-carboxylic acid

SMILES [?]:

c1ccc(cc1)C2CCCC(C2)C(=O)O

InChi [?]:

InChI=1/C13H16O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,2,6,9,3,5,8,10,12,4,7,11,13,14,15/E:(2,3)(5,6)(14,15)/rA:15cCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₆O₂
All Atoms:	15
Heavy Atoms:	15
Chiral Atoms:	2

ZAP Information [?]

Total:	7.79151
Area:	382.348
Solvation:	-1.76718
Coulombic:	-28.6191

Bond Count [?]

All:	16
Single:	12
Double:	4
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	204.265
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.21
LogP (Chemaxon):	3.26

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value