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141942-53-2 | 2H-Pyran-2-ol, 3,3-dichlorotetrahydro-, 2-formate
CAS No: 141942-53-2 Catalog No: AG001HFW MDL No:
Product Description
Catalog Number:
AG001HFW
Chemical Name:
2H-Pyran-2-ol, 3,3-dichlorotetrahydro-, 2-formate
CAS Number:
141942-53-2
Molecular Formula:
C6H8Cl2O3
Molecular Weight:
199.0319
IUPAC Name:
(3,3-dichlorooxan-2-yl) formate
InChI:
InChI=1S/C6H8Cl2O3/c7-6(8)2-1-3-10-5(6)11-4-9/h4-5H,1-3H2
InChI Key:
RJZSBBQFYWZFDG-UHFFFAOYSA-N
SMILES:
O=COC1OCCCC1(Cl)Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.985g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.027g/mol
Monoisotopic Mass:
197.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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