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100202-39-9 | 3-Azetidinecarboxylic acid, methyl ester, hydrochloride (1:1)
CAS No: 100202-39-9 Catalog No: AG00018X MDL No:MFCD01861758
Product Description
Catalog Number:
AG00018X
Chemical Name:
3-Azetidinecarboxylic acid, methyl ester, hydrochloride (1:1)
CAS Number:
100202-39-9
Molecular Formula:
C5H10ClNO2
Molecular Weight:
151.5914
MDL Number:
MFCD01861758
IUPAC Name:
methyl azetidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C5H9NO2.ClH/c1-8-5(7)4-2-6-3-4;/h4,6H,2-3H2,1H3;1H
InChI Key:
UOCWTLBPYROHEF-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNC1.Cl
Properties
Complexity:
98.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.04g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.59g/mol
Monoisotopic Mass:
151.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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