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1458653-12-7 | 3-Azetidinemethanol, 3-methyl-, hydrochloride (1:1)
CAS No: 1458653-12-7 Catalog No: AG001DGZ MDL No:MFCD28119098
Product Description
Catalog Number:
AG001DGZ
Chemical Name:
3-Azetidinemethanol, 3-methyl-, hydrochloride (1:1)
CAS Number:
1458653-12-7
Molecular Formula:
C5H12ClNO
Molecular Weight:
137.6079
MDL Number:
MFCD28119098
IUPAC Name:
(3-methylazetidin-3-yl)methanol;hydrochloride
InChI:
InChI=1S/C5H11NO.ClH/c1-5(4-7)2-6-3-5;/h6-7H,2-4H2,1H3;1H
InChI Key:
NJGWVVHLUXLQTI-UHFFFAOYSA-N
SMILES:
OCC1(C)CNC1.Cl
Properties
Complexity:
68.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.061g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
137.607g/mol
Monoisotopic Mass:
137.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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