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Chemical ID: 4774703

Chemical ID:

4774703

Name [?]:

9H-fluoren-9-ylmethyl (2-hydroxy-1-methyl-ethyl)aminoformate

SMILES [?]:

CC(CO)NC(=O)OCC1c2ccccc2-c3c1cccc3

InChi [?]:

InChI=1/C18H19NO3/c1-12(10-20)19-18(21)22-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17,20H,10-11H2,1H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,14,21,13,20,15,22,12,19,3,9,2,16,17,11,18,10,6,5,4,7,8/E:(2,3)(4,5)(6,7)(8,9)(13,14)(15,16)/rA:22cCCCONCOOCCCCCCCCCCCCCC/rB:s1;s2;s3;s2;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s10s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉NO₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	9.80361
Area:	508.093
Solvation:	-2.89872
Coulombic:	-53.1239

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	297.348
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.91
LogP (Chemaxon):	3.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value