200,000+ products from a single source!
sales@angenechem.com
162930-56-5 | Benzenepentanoic acid, 5-chloro-2-methoxy-δ-oxo-
CAS No: 162930-56-5 Catalog No: AG001TJX MDL No:
Product Description
Catalog Number:
AG001TJX
Chemical Name:
Benzenepentanoic acid, 5-chloro-2-methoxy-δ-oxo-
CAS Number:
162930-56-5
Molecular Formula:
C12H13ClO4
Molecular Weight:
256.6822
IUPAC Name:
5-(5-chloro-2-methoxyphenyl)-5-oxopentanoic acid
InChI:
InChI=1S/C12H13ClO4/c1-17-11-6-5-8(13)7-9(11)10(14)3-2-4-12(15)16/h5-7H,2-4H2,1H3,(H,15,16)
InChI Key:
MQWKMHFRUKBXQO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)CCCC(=O)O)Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.682g/mol
Monoisotopic Mass:
256.05g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.