Home Carboxys 1-(3-methoxyphenyl)cyclopentane-1-carboxylic acid

1-(3-methoxyphenyl)cyclopentane-1-carboxylic acid

CAS No.:
43050-39-1
Catalog Number:
AG00I8AD
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
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Product Description
Catalog Number:
AG00I8AD
Chemical Name:
1-(3-methoxyphenyl)cyclopentane-1-carboxylic acid
CAS Number:
43050-39-1
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD11037111
IUPAC Name:
1-(3-methoxyphenyl)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C13H16O3/c1-16-11-6-4-5-10(9-11)13(12(14)15)7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3,(H,14,15)
InChI Key:
BDUMKMDZDPHFJH-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1(CCCC1)C(=O)O
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties