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1392803-11-0

1392803-11-0 | 3-Azetidinecarboxylic acid, 3-methoxy-, methyl ester, hydrochloride (1:1)

CAS No: 1392803-11-0 Catalog No: AG001ANO MDL No:MFCD23106146

Product Description

Catalog Number:
AG001ANO
Chemical Name:
3-Azetidinecarboxylic acid, 3-methoxy-, methyl ester, hydrochloride (1:1)
CAS Number:
1392803-11-0
Molecular Formula:
C6H12ClNO3
Molecular Weight:
181.6174
MDL Number:
MFCD23106146
IUPAC Name:
methyl 3-methoxyazetidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C6H11NO3.ClH/c1-9-5(8)6(10-2)3-7-4-6;/h7H,3-4H2,1-2H3;1H
InChI Key:
IBZZJRGZWDPHNL-UHFFFAOYSA-N
SMILES:
COC(=O)C1(OC)CNC1.Cl

Properties

Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.051g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.616g/mol
Monoisotopic Mass:
181.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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