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Chemical ID: 5119964

Chemical ID:

5119964

Name [?]:

ethyl 3-hydroxy-3,3-bis(4-methoxyphenyl)-propanoate

SMILES [?]:

CCOC(=O)CC(c1ccc(cc1)OC)(c2ccc(cc2)OC)O

InChi [?]:

InChI=1/C19H22O5/c1-4-24-18(20)13-19(21,14-5-9-16(22-2)10-6-14)15-7-11-17(23-3)12-8-15/h5-12,21H,4,13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,15,23,2,9,13,17,21,10,12,18,20,6,8,16,11,19,4,7,5,24,14,22,3/E:(2,3)(5,6,7,8)(9,10,11,12)(14,15)(16,17)(22,23)/rA:24nCCOCOCCCCCCCCOCCCCCCCOCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s7;s16;d17;s18;d19;d16s20;s19;s22;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂O₅
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	7.44101
Area:	541.806
Solvation:	-6.10414
Coulombic:	-50.039

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	330.375
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.99
LogP (Chemaxon):	2.7

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