Home Other Building Blocks 2-cyclopropyl-5-methylbenzoic acid

2-cyclopropyl-5-methylbenzoic acid

CAS No.:
1525520-64-2
Catalog Number:
AG01C3XZ
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
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Product Description
Catalog Number:
AG01C3XZ
Chemical Name:
2-cyclopropyl-5-methylbenzoic acid
CAS Number:
1525520-64-2
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD24050978
IUPAC Name:
2-cyclopropyl-5-methylbenzoic acid
InChI:
InChI=1S/C11H12O2/c1-7-2-5-9(8-3-4-8)10(6-7)11(12)13/h2,5-6,8H,3-4H2,1H3,(H,12,13)
InChI Key:
PFDCGJCBLCCYJJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)O)C1CC1
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties