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204191-40-2 | L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-, monohydrate (9CI)
CAS No: 204191-40-2 Catalog No: AG0029C3 MDL No:MFCD11519226
Product Description
Catalog Number:
AG0029C3
Chemical Name:
L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-, monohydrate (9CI)
CAS Number:
204191-40-2
Molecular Formula:
C8H17NO6
Molecular Weight:
223.2237
MDL Number:
MFCD11519226
IUPAC Name:
(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrate
InChI:
InChI=1S/C8H15NO5.H2O/c1-8(2,3)14-7(13)9-5(4-10)6(11)12;/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12);1H2/t5-;/m0./s1
InChI Key:
JLIWGTMHYWJUPM-JEDNCBNOSA-N
SMILES:
OC[C@@H](C(=O)O)NC(=O)OC(C)(C)C.O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
223.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
223.225g/mol
Monoisotopic Mass:
223.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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