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1260637-54-4 | 2H-Pyran-4-acetic acid, α-aminotetrahydro-, methyl ester, hydrochloride (1:1)
CAS No: 1260637-54-4 Catalog No: AG000QWN MDL No:MFCD04037018
Product Description
Catalog Number:
AG000QWN
Chemical Name:
2H-Pyran-4-acetic acid, α-aminotetrahydro-, methyl ester, hydrochloride (1:1)
CAS Number:
1260637-54-4
Molecular Formula:
C8H16ClNO3
Molecular Weight:
209.6705
MDL Number:
MFCD04037018
IUPAC Name:
methyl 2-amino-2-(oxan-4-yl)acetate;hydrochloride
InChI:
InChI=1S/C8H15NO3.ClH/c1-11-8(10)7(9)6-2-4-12-5-3-6;/h6-7H,2-5,9H2,1H3;1H
InChI Key:
BKNZVLSJCYPDLJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(C1CCOCC1)N.Cl
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.082g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.67g/mol
Monoisotopic Mass:
209.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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