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1416402-99-7

1416402-99-7 | 2H-Pyran-4-acetic acid, α-aminotetrahydro-, hydrochloride (1:1), (αR)-

CAS No: 1416402-99-7 Catalog No: AG001GRM MDL No:MFCD18711390

Product Description

Catalog Number:
AG001GRM
Chemical Name:
2H-Pyran-4-acetic acid, α-aminotetrahydro-, hydrochloride (1:1), (αR)-
CAS Number:
1416402-99-7
Molecular Formula:
C7H14ClNO3
Molecular Weight:
195.6440
MDL Number:
MFCD18711390
IUPAC Name:
(2R)-2-amino-2-(oxan-4-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C7H13NO3.ClH/c8-6(7(9)10)5-1-3-11-4-2-5;/h5-6H,1-4,8H2,(H,9,10);1H/t6-;/m1./s1
InChI Key:
KHYXIPVLUOQKMK-FYZOBXCZSA-N
SMILES:
N[C@@H](C(=O)O)C1CCOCC1.Cl

Properties

Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
195.066g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
195.643g/mol
Monoisotopic Mass:
195.066g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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