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473444-31-4 | dimethyl N-(4-iodobenzoyl)glutamate
CAS No: 473444-31-4 Catalog No: AG00J3S4 MDL No:MFCD01605810
Product Description
Catalog Number:
AG00J3S4
Chemical Name:
dimethyl N-(4-iodobenzoyl)glutamate
CAS Number:
473444-31-4
Molecular Formula:
C14H16INO5
Molecular Weight:
405.1850
MDL Number:
MFCD01605810
IUPAC Name:
dimethyl 2-[(4-iodobenzoyl)amino]pentanedioate
InChI:
InChI=1S/C14H16INO5/c1-20-12(17)8-7-11(14(19)21-2)16-13(18)9-3-5-10(15)6-4-9/h3-6,11H,7-8H2,1-2H3,(H,16,18)
InChI Key:
GUIAUTJTUAVNMG-UHFFFAOYSA-N
SMILES:
COC(=O)C(NC(=O)c1ccc(cc1)I)CCC(=O)OC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.007g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
405.188g/mol
Monoisotopic Mass:
405.007g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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