Home Other Building Blocks methyl 2-(2-methylpropyl)benzoate

methyl 2-(2-methylpropyl)benzoate

CAS No.:
1807918-60-0
Catalog Number:
AG01EIME
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
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Product Description
Catalog Number:
AG01EIME
Chemical Name:
methyl 2-(2-methylpropyl)benzoate
CAS Number:
1807918-60-0
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD30830825
IUPAC Name:
methyl 2-(2-methylpropyl)benzoate
InChI:
InChI=1S/C12H16O2/c1-9(2)8-10-6-4-5-7-11(10)12(13)14-3/h4-7,9H,8H2,1-3H3
InChI Key:
NEHLORVMFJDZQF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1CC(C)C
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties