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88132-25-6 | Benzoic acid, 4-[[(methoxymethylamino)carbonyl]amino]-, ethyl ester
CAS No: 88132-25-6 Catalog No: AG004HSV MDL No:
Product Description
Catalog Number:
AG004HSV
Chemical Name:
Benzoic acid, 4-[[(methoxymethylamino)carbonyl]amino]-, ethyl ester
CAS Number:
88132-25-6
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
IUPAC Name:
ethyl 4-(methoxymethylcarbamoylamino)benzoate
InChI:
InChI=1S/C12H16N2O4/c1-3-18-11(15)9-4-6-10(7-5-9)14-12(16)13-8-17-2/h4-7H,3,8H2,1-2H3,(H2,13,14,16)
InChI Key:
WYVXLLDRLXQUQY-UHFFFAOYSA-N
SMILES:
COCNC(=O)Nc1ccc(cc1)C(=O)OCC
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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