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Chemical ID: 4714367

Chemical ID:

4714367

Name [?]:

3-methoxy-5,6-dihydro-4bH-fluoren-4-ol

SMILES [?]:

COc1ccc2c(c1O)C3CCC=CC3=C2

InChi [?]:

InChI=1/C14H14O2/c1-16-12-7-6-10-8-9-4-2-3-5-11(9)13(10)14(12)15/h2,4,6-8,11,15H,3,5H2,1H3

InChi Info:

AuxInfo=1/0/N:1,13,12,14,11,5,4,16,15,6,10,3,7,8,9,2/rA:16cCOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;s11;s12;d13;s10s14;s6d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄O₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	1

ZAP Information [?]

Total:	6.29257
Area:	374.811
Solvation:	-3.07771
Coulombic:	-25.3448

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	214.26
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.32
LogP (Chemaxon):	2.59

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