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1835-52-5 | 2-Amino-4-methoxy-4-oxobutanoic acid hydrochloride
CAS No: 1835-52-5 Catalog No: AG0039U9 MDL No:MFCD00214167
Product Description
Catalog Number:
AG0039U9
Chemical Name:
2-Amino-4-methoxy-4-oxobutanoic acid hydrochloride
CAS Number:
1835-52-5
Molecular Formula:
C5H10ClNO4
Molecular Weight:
183.5902
MDL Number:
MFCD00214167
IUPAC Name:
2-amino-4-methoxy-4-oxobutanoic acid;hydrochloride
InChI:
InChI=1S/C5H9NO4.ClH/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);1H
InChI Key:
QRBMPUYOGOCYDJ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C(=O)O)N.Cl
EC Number:
217-399-4
NSC Number:
118528
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.588g/mol
Monoisotopic Mass:
183.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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