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1017781-45-1 | Benzenepropanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-β-oxo-, ethyl ester
CAS No: 1017781-45-1 Catalog No: AG0005I1 MDL No:MFCD09997714
Product Description
Catalog Number:
AG0005I1
Chemical Name:
Benzenepropanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-β-oxo-, ethyl ester
CAS Number:
1017781-45-1
Molecular Formula:
C16H21NO5
Molecular Weight:
307.3416
MDL Number:
MFCD09997714
IUPAC Name:
ethyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopropanoate
InChI:
InChI=1S/C16H21NO5/c1-5-21-14(19)10-13(18)11-6-8-12(9-7-11)17-15(20)22-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,20)
InChI Key:
GRNQQSYBDFHTSO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccc(cc1)NC(=O)OC(C)(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.346g/mol
Monoisotopic Mass:
307.142g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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