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1260760-22-2 | Butanoic acid, 4-(methoxymethylamino)-4-oxo-, phenylmethyl ester
CAS No: 1260760-22-2 Catalog No: AG000R49 MDL No:MFCD11975779
Product Description
Catalog Number:
AG000R49
Chemical Name:
Butanoic acid, 4-(methoxymethylamino)-4-oxo-, phenylmethyl ester
CAS Number:
1260760-22-2
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD11975779
IUPAC Name:
benzyl 4-[methoxy(methyl)amino]-4-oxobutanoate
InChI:
InChI=1S/C13H17NO4/c1-14(17-2)12(15)8-9-13(16)18-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChI Key:
YZTCKSAAPZMJPP-UHFFFAOYSA-N
SMILES:
COCNC(=O)CCC(=O)OCc1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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