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119479-32-2 | 4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 119479-32-2 Catalog No: AG000IV2 MDL No:MFCD02682445
Product Description
Catalog Number:
AG000IV2
Chemical Name:
4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
119479-32-2
Molecular Formula:
C10H17NO4
Molecular Weight:
215.2463
MDL Number:
MFCD02682445
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
InChI:
InChI=1S/C10H17NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)
InChI Key:
BUPDPLXLAKNJMI-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.249g/mol
Monoisotopic Mass:
215.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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