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16508-41-1 | 1,3-Propanediol, 2-chloro-2-methyl-
CAS No: 16508-41-1 Catalog No: AG001V9J MDL No:
Product Description
Catalog Number:
AG001V9J
Chemical Name:
1,3-Propanediol, 2-chloro-2-methyl-
CAS Number:
16508-41-1
Molecular Formula:
C4H9ClO2
Molecular Weight:
124.5661
IUPAC Name:
2-chloro-2-methylpropane-1,3-diol
InChI:
InChI=1S/C4H9ClO2/c1-4(5,2-6)3-7/h6-7H,2-3H2,1H3
InChI Key:
ADLUGNJUDCDWIK-UHFFFAOYSA-N
SMILES:
OCC(CO)(Cl)C
NSC Number:
97177
Properties
Complexity:
51.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.029g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
124.564g/mol
Monoisotopic Mass:
124.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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