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13756-42-8

13756-42-8 | Benzoic acid, 4-methyl-, 1,1-dimethylethyl ester

CAS No: 13756-42-8 Catalog No: AG0013JV MDL No:MFCD06795961

Product Description

Catalog Number:
AG0013JV
Chemical Name:
Benzoic acid, 4-methyl-, 1,1-dimethylethyl ester
CAS Number:
13756-42-8
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD06795961
IUPAC Name:
tert-butyl 4-methylbenzoate
InChI:
InChI=1S/C12H16O2/c1-9-5-7-10(8-6-9)11(13)14-12(2,3)4/h5-8H,1-4H3
InChI Key:
GRUSXPIAJWRLRQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)OC(C)(C)C

Properties

Complexity:
195  
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:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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