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88606-58-0 | 1-Propanol, 2,3-dichloro-, propanoate
CAS No: 88606-58-0 Catalog No: AG004ATF MDL No:
Product Description
Catalog Number:
AG004ATF
Chemical Name:
1-Propanol, 2,3-dichloro-, propanoate
CAS Number:
88606-58-0
Molecular Formula:
C6H12Cl2O3
Molecular Weight:
203.0637
IUPAC Name:
2,3-dichloropropan-1-ol;propanoic acid
InChI:
InChI=1S/C3H6Cl2O.C3H6O2/c4-1-3(5)2-6;1-2-3(4)5/h3,6H,1-2H2;2H2,1H3,(H,4,5)
InChI Key:
DPJSLUIOAOXKDF-UHFFFAOYSA-N
SMILES:
OCC(CCl)Cl.CCC(=O)O
Properties
Complexity:
72.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.016g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.059g/mol
Monoisotopic Mass:
202.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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