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811842-25-8 | (S)-2-Amino-2-(tetrahydro-2H-pyran-4-yl)acetic acid
CAS No: 811842-25-8 Catalog No: AG0036G1 MDL No:MFCD03419267
Product Description
Catalog Number:
AG0036G1
Chemical Name:
(S)-2-Amino-2-(tetrahydro-2H-pyran-4-yl)acetic acid
CAS Number:
811842-25-8
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
MDL Number:
MFCD03419267
IUPAC Name:
(2S)-2-amino-2-(oxan-4-yl)acetic acid
InChI:
InChI=1S/C7H13NO3/c8-6(7(9)10)5-1-3-11-4-2-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1
InChI Key:
XLZJPHKIECMDPG-LURJTMIESA-N
SMILES:
N[C@H](C(=O)O)C1CCOCC1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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