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852379-58-9 | Acetic acid,2-[5-(chloromethyl)dihydro-2(3H)-furanylidene]-, methyl ester
CAS No: 852379-58-9 Catalog No: AG004M30 MDL No:
Product Description
Catalog Number:
AG004M30
Chemical Name:
Acetic acid,2-[5-(chloromethyl)dihydro-2(3H)-furanylidene]-, methyl ester
CAS Number:
852379-58-9
Molecular Formula:
C8H11ClO3
Molecular Weight:
190.6241
IUPAC Name:
methyl 2-[5-(chloromethyl)oxolan-2-ylidene]acetate
InChI:
InChI=1S/C8H11ClO3/c1-11-8(10)4-6-2-3-7(5-9)12-6/h4,7H,2-3,5H2,1H3
InChI Key:
MCWLBTQHLRPUPJ-UHFFFAOYSA-N
SMILES:
COC(=O)C=C1CCC(O1)CCl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.623g/mol
Monoisotopic Mass:
190.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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