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309978-00-5 | 2-Azetidinecarboxylic acid, 2-methyl-, methyl ester, hydrochloride (1:1)
CAS No: 309978-00-5 Catalog No: AG0031VN MDL No:MFCD18812894
Product Description
Catalog Number:
AG0031VN
Chemical Name:
2-Azetidinecarboxylic acid, 2-methyl-, methyl ester, hydrochloride (1:1)
CAS Number:
309978-00-5
Molecular Formula:
C6H12ClNO2
Molecular Weight:
165.6180
MDL Number:
MFCD18812894
IUPAC Name:
methyl 2-methylazetidine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C6H11NO2.ClH/c1-6(3-4-7-6)5(8)9-2;/h7H,3-4H2,1-2H3;1H
InChI Key:
HKRDVTDOFOMXDY-UHFFFAOYSA-N
SMILES:
CC1(CCN1)C(=O)OC.Cl
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.617g/mol
Monoisotopic Mass:
165.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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