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1268475-20-2 | 3-Morpholinecarboxylic acid, 2-methyl-, (2S,3R)-
CAS No: 1268475-20-2 Catalog No: AG000TBS MDL No:MFCD22394653
Product Description
Catalog Number:
AG000TBS
Chemical Name:
3-Morpholinecarboxylic acid, 2-methyl-, (2S,3R)-
CAS Number:
1268475-20-2
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
MDL Number:
MFCD22394653
IUPAC Name:
(2S,3R)-2-methylmorpholine-3-carboxylic acid
InChI:
InChI=1S/C6H11NO3/c1-4-5(6(8)9)7-2-3-10-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m0/s1
InChI Key:
FTVXLBDGIPTBCP-CRCLSJGQSA-N
SMILES:
OC(=O)[C@@H]1NCCO[C@H]1C
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
145.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.158g/mol
Monoisotopic Mass:
145.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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