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1392804-40-8 | 3-Azetidinecarboxylic acid, 3-methoxy-, hydrochloride (1:1)
CAS No: 1392804-40-8 Catalog No: AG001AO8 MDL No:MFCD23106145
Product Description
Catalog Number:
AG001AO8
Chemical Name:
3-Azetidinecarboxylic acid, 3-methoxy-, hydrochloride (1:1)
CAS Number:
1392804-40-8
Molecular Formula:
C5H10ClNO3
Molecular Weight:
167.5908
MDL Number:
MFCD23106145
IUPAC Name:
3-methoxyazetidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C5H9NO3.ClH/c1-9-5(4(7)8)2-6-3-5;/h6H,2-3H2,1H3,(H,7,8);1H
InChI Key:
AEVFTXGELHTFCQ-UHFFFAOYSA-N
SMILES:
COC1(CNC1)C(=O)O.Cl
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.035g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
167.589g/mol
Monoisotopic Mass:
167.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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