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1121584-99-3 | Methyl 3,5-diisopropylbenzoate
CAS No: 1121584-99-3 Catalog No: AG01FEZI MDL No:MFCD03840477
Product Description
Catalog Number:
AG01FEZI
Chemical Name:
Methyl 3,5-diisopropylbenzoate
CAS Number:
1121584-99-3
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
MDL Number:
MFCD03840477
IUPAC Name:
methyl 3,5-di(propan-2-yl)benzoate
InChI:
InChI=1S/C14H20O2/c1-9(2)11-6-12(10(3)4)8-13(7-11)14(15)16-5/h6-10H,1-5H3
InChI Key:
KMVYMCVCCGFYOC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)C(C)C)C(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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