Home Carbonyls 3-Butenoicacid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-(9CI)

3-Butenoicacid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-(9CI)

CAS No.:
171077-04-6
Catalog Number:
AG00AXC6
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
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Product Description
Catalog Number:
AG00AXC6
Chemical Name:
3-Butenoicacid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-(9CI)
CAS Number:
171077-04-6
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
MDL Number:
MFCD02682489
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
InChI:
InChI=1S/C9H15NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h5-6H,1H2,2-4H3,(H,10,13)(H,11,12)
InChI Key:
BYHZVVBUNVWRGH-UHFFFAOYSA-N
SMILES:
C=CC(C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties