Home Halogens 4-(3-chlorophenyl)oxane-4-carboxylic acid

4-(3-chlorophenyl)oxane-4-carboxylic acid

CAS No.:
473706-23-9
Catalog Number:
AG00DPTB
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
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Product Description
Catalog Number:
AG00DPTB
Chemical Name:
4-(3-chlorophenyl)oxane-4-carboxylic acid
CAS Number:
473706-23-9
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
MDL Number:
MFCD11188898
IUPAC Name:
4-(3-chlorophenyl)oxane-4-carboxylic acid
InChI:
InChI=1S/C12H13ClO3/c13-10-3-1-2-9(8-10)12(11(14)15)4-6-16-7-5-12/h1-3,8H,4-7H2,(H,14,15)
InChI Key:
IFGNECIEJYKTRC-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C1(CCOCC1)C(=O)O
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.055g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.683g/mol
Monoisotopic Mass:
240.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties