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o-Tolyl benzoate

CAS No.:
617-02-7
Catalog Number:
AG003TI9
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
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Product Description
Catalog Number:
AG003TI9
Chemical Name:
o-Tolyl benzoate
CAS Number:
617-02-7
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
MDL Number:
MFCD00041330
IUPAC Name:
(2-methylphenyl) benzoate
InChI:
InChI=1S/C14H12O2/c1-11-7-5-6-10-13(11)16-14(15)12-8-3-2-4-9-12/h2-10H,1H3
InChI Key:
YPMKPCAILYDVBN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1ccccc1C
EC Number:
210-501-8
NSC Number:
6043
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.248g/mol
Monoisotopic Mass:
212.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties