Home Other Building Blocks 3-Methylbenzoic anhydride

3-Methylbenzoic anhydride

CAS No.:
21436-44-2
Catalog Number:
AG0072D4
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
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Product Description
Catalog Number:
AG0072D4
Chemical Name:
3-Methylbenzoic anhydride
CAS Number:
21436-44-2
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
MDL Number:
MFCD01313629
IUPAC Name:
(3-methylbenzoyl) 3-methylbenzoate
InChI:
InChI=1S/C16H14O3/c1-11-5-3-7-13(9-11)15(17)19-16(18)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChI Key:
DGZSQLHPEZFGSI-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=O)OC(=O)c1cccc(c1)C
NSC Number:
76062
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties