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59531-86-1 | D-Alanine tert-butyl ester hydrochloride
CAS No: 59531-86-1 Catalog No: AG00370F MDL No:MFCD00077087
Product Description
Catalog Number:
AG00370F
Chemical Name:
D-Alanine tert-butyl ester hydrochloride
CAS Number:
59531-86-1
Molecular Formula:
C7H16ClNO2
Molecular Weight:
181.6604
MDL Number:
MFCD00077087
IUPAC Name:
tert-butyl (2R)-2-aminopropanoate;hydrochloride
InChI:
InChI=1S/C7H15NO2.ClH/c1-5(8)6(9)10-7(2,3)4;/h5H,8H2,1-4H3;1H/t5-;/m1./s1
InChI Key:
WIQIWPPQGWGVHD-NUBCRITNSA-N
SMILES:
O=C([C@H](N)C)OC(C)(C)C.Cl
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
181.087g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.66g/mol
Monoisotopic Mass:
181.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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