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119881-02-6 | Propanedioic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 119881-02-6 Catalog No: AG000PTH MDL No:MFCD07369166
Product Description
Catalog Number:
AG000PTH
Chemical Name:
Propanedioic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
119881-02-6
Molecular Formula:
C8H13NO6
Molecular Weight:
219.1919
MDL Number:
MFCD07369166
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioic acid
InChI:
InChI=1S/C8H13NO6/c1-8(2,3)15-7(14)9-4(5(10)11)6(12)13/h4H,1-3H3,(H,9,14)(H,10,11)(H,12,13)
InChI Key:
QDOUGIFZJJVBOL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)C(=O)O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.193g/mol
Monoisotopic Mass:
219.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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