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Chemical ID: 6473706

Chemical ID:

6473706

Name [?]:

methyl 1-[(4-methoxyphenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate

SMILES [?]:

COc1ccc(cc1)CN2CC(CC2=O)C(=O)OC

InChi [?]:

InChI=1/C14H17NO4/c1-18-12-5-3-10(4-6-12)8-15-9-11(7-13(15)16)14(17)19-2/h3-6,11H,7-9H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,5,7,4,8,13,9,11,6,12,3,14,16,10,15,17,2,18/E:(3,4)(5,6)/rA:19cCOCCCCCCCNCCCCOCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s10s13;d14;s12;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₇NO₄
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	7.0003
Area:	460.485
Solvation:	-4.51182
Coulombic:	-40.1732

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	263.289
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	0.83
LogP (Chemaxon):	0.63

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value