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131801-45-1

131801-45-1 | Carbonic acid, 1-chloroethyl tetrahydro-2H-pyran-4-yl ester

CAS No: 131801-45-1 Catalog No: AG000ZRP MDL No:

Product Description

Catalog Number:
AG000ZRP
Chemical Name:
Carbonic acid, 1-chloroethyl tetrahydro-2H-pyran-4-yl ester
CAS Number:
131801-45-1
Molecular Formula:
C8H13ClO4
Molecular Weight:
208.6394
IUPAC Name:
1-chloroethyl oxan-4-yl carbonate
InChI:
InChI=1S/C8H13ClO4/c1-6(9)12-8(10)13-7-2-4-11-5-3-7/h6-7H,2-5H2,1H3
InChI Key:
LBVUVJVPCNEFMC-UHFFFAOYSA-N
SMILES:
CC(OC(=O)OC1CCOCC1)Cl

Properties

Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.05g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.638g/mol
Monoisotopic Mass:
208.05g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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