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52694-50-5 | 3-Chloro-1,2-propanediol
CAS No: 52694-50-5 Catalog No: AG01FNYT MDL No:
Product Description
Catalog Number:
AG01FNYT
Chemical Name:
3-Chloro-1,2-propanediol
CAS Number:
52694-50-5
IUPAC Name:
3-(chloromethyl)-1-methylpiperidine
InChI:
InChI=1S/C7H14ClN/c1-9-4-2-3-7(5-8)6-9/h7H,2-6H2,1H3
InChI Key:
FFOIFAAVWJZLFE-UHFFFAOYSA-N
EC Number:
258-108-0
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.081g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.646g/mol
Monoisotopic Mass:
147.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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