Home Halogens 4-chloro-5,6-dihydro-2H-pyran-3-carboxylic acid

4-chloro-5,6-dihydro-2H-pyran-3-carboxylic acid

CAS No.:
1541667-98-4
Catalog Number:
AG01ELX2
Molecular Formula:
C6H7ClO3
Molecular Weight:
162.5710
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Product Description
Catalog Number:
AG01ELX2
Chemical Name:
4-chloro-5,6-dihydro-2H-pyran-3-carboxylic acid
CAS Number:
1541667-98-4
Molecular Formula:
C6H7ClO3
Molecular Weight:
162.5710
MDL Number:
MFCD24135402
IUPAC Name:
4-chloro-3,6-dihydro-2H-pyran-5-carboxylic acid
InChI:
InChI=1S/C6H7ClO3/c7-5-1-2-10-3-4(5)6(8)9/h1-3H2,(H,8,9)
InChI Key:
XJUOYDHZOSGHGV-UHFFFAOYSA-N
SMILES:
ClC1=C(COCC1)C(=O)O
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.008g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.569g/mol
Monoisotopic Mass:
162.008g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties