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88517-40-2 | Propanoic acid, 2-methyl-3-[(phenylmethoxy)amino]-, methyl ester
CAS No: 88517-40-2 Catalog No: AG0048U0 MDL No:
Product Description
Catalog Number:
AG0048U0
Chemical Name:
Propanoic acid, 2-methyl-3-[(phenylmethoxy)amino]-, methyl ester
CAS Number:
88517-40-2
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
IUPAC Name:
methyl 2-methyl-3-(phenylmethoxyamino)propanoate
InChI:
InChI=1S/C12H17NO3/c1-10(12(14)15-2)8-13-16-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChI Key:
OMQFEARRISXCOL-UHFFFAOYSA-N
SMILES:
COC(=O)C(CNOCc1ccccc1)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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