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1245646-09-6 | β-Alanine, N-(2-methoxy-2-oxoethyl)-N-[(phenylmethoxy)carbonyl]-, ethyl ester
CAS No: 1245646-09-6 Catalog No: AG000MA5 MDL No:
Product Description
Catalog Number:
AG000MA5
Chemical Name:
β-Alanine, N-(2-methoxy-2-oxoethyl)-N-[(phenylmethoxy)carbonyl]-, ethyl ester
CAS Number:
1245646-09-6
Molecular Formula:
C16H21NO6
Molecular Weight:
323.3410
IUPAC Name:
ethyl 3-[(2-methoxy-2-oxoethyl)-phenylmethoxycarbonylamino]propanoate
InChI:
InChI=1S/C16H21NO6/c1-3-22-14(18)9-10-17(11-15(19)21-2)16(20)23-12-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChI Key:
NUHMKAJZZKFTKF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCN(C(=O)OCc1ccccc1)CC(=O)OC
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.345g/mol
Monoisotopic Mass:
323.137g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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