Home Other Building Blocks 3-(2-methylphenyl)butanoic acid

3-(2-methylphenyl)butanoic acid

CAS No.:
72851-31-1
Catalog Number:
AG01AIWX
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
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Product Description
Catalog Number:
AG01AIWX
Chemical Name:
3-(2-methylphenyl)butanoic acid
CAS Number:
72851-31-1
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD11172880
IUPAC Name:
3-(2-methylphenyl)butanoic acid
InChI:
InChI=1S/C11H14O2/c1-8-5-3-4-6-10(8)9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
InChI Key:
KDNXCJOQOJLCNJ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1C)C
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties