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141942-54-3 | 2H-Pyran-2-ol, 3,3-dichlorotetrahydro-, 2-acetate
CAS No: 141942-54-3 Catalog No: AG001HFV MDL No:
Product Description
Catalog Number:
AG001HFV
Chemical Name:
2H-Pyran-2-ol, 3,3-dichlorotetrahydro-, 2-acetate
CAS Number:
141942-54-3
Molecular Formula:
C7H10Cl2O3
Molecular Weight:
213.0585
IUPAC Name:
(3,3-dichlorooxan-2-yl) acetate
InChI:
InChI=1S/C7H10Cl2O3/c1-5(10)12-6-7(8,9)3-2-4-11-6/h6H,2-4H2,1H3
InChI Key:
NVEIBZFEVMVCPU-UHFFFAOYSA-N
SMILES:
CC(=O)OC1OCCCC1(Cl)Cl
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.001g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.054g/mol
Monoisotopic Mass:
212.001g/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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