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26537-19-9 | Benzoic acid, 4-(1,1-dimethylethyl)-, methyl ester
CAS No: 26537-19-9 Catalog No: AG002TLM MDL No:MFCD00008835
Product Description
Catalog Number:
AG002TLM
Chemical Name:
Benzoic acid, 4-(1,1-dimethylethyl)-, methyl ester
CAS Number:
26537-19-9
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD00008835
IUPAC Name:
methyl 4-tert-butylbenzoate
InChI:
InChI=1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3
InChI Key:
UPIJOAFHOIWPLT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(C)(C)C
EC Number:
247-768-5
UNII:
8VK4O27JMT
NSC Number:
122690
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:
4
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