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824402-46-2 | Benzeneacetic acid, 3-amino-4-(methoxymethoxy)-, ethyl ester
CAS No: 824402-46-2 Catalog No: AG0051KJ MDL No:
Product Description
Catalog Number:
AG0051KJ
Chemical Name:
Benzeneacetic acid, 3-amino-4-(methoxymethoxy)-, ethyl ester
CAS Number:
824402-46-2
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
IUPAC Name:
ethyl 2-[3-amino-4-(methoxymethoxy)phenyl]acetate
InChI:
InChI=1S/C12H17NO4/c1-3-16-12(14)7-9-4-5-11(10(13)6-9)17-8-15-2/h4-6H,3,7-8,13H2,1-2H3
InChI Key:
VBXOYVXUCHICNN-UHFFFAOYSA-N
SMILES:
COCOc1ccc(cc1N)CC(=O)OCC
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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