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141942-52-1 | 2-Furanol, 3,3-dichlorotetrahydro-, 2-acetate
CAS No: 141942-52-1 Catalog No: AG001HFX MDL No:MFCD00142851
Product Description
Catalog Number:
AG001HFX
Chemical Name:
2-Furanol, 3,3-dichlorotetrahydro-, 2-acetate
CAS Number:
141942-52-1
Molecular Formula:
C6H8Cl2O3
Molecular Weight:
199.0319
MDL Number:
MFCD00142851
IUPAC Name:
(3,3-dichlorooxolan-2-yl) acetate
InChI:
InChI=1S/C6H8Cl2O3/c1-4(9)11-5-6(7,8)2-3-10-5/h5H,2-3H2,1H3
InChI Key:
PBTLBQDECKKPKR-UHFFFAOYSA-N
SMILES:
CC(=O)OC1OCCC1(Cl)Cl
Properties
Complexity:
169
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:
1.4
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