Home Carbonyls 2-Butenoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2E)-

2-Butenoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2E)-

CAS No.:
180913-22-8
Catalog Number:
AG0022GR
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
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Product Description
Catalog Number:
AG0022GR
Chemical Name:
2-Butenoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2E)-
CAS Number:
180913-22-8
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
MDL Number:
MFCD27958892
IUPAC Name:
(E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoic acid
InChI:
InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6-4-5-7(11)12/h4-5H,6H2,1-3H3,(H,10,13)(H,11,12)/b5-4+
InChI Key:
MUQOCUSTNGBFJL-SNAWJCMRSA-N
SMILES:
O=C(OC(C)(C)C)NC/C=C/C(=O)O
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties