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100743-90-6 | Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester
CAS No: 100743-90-6 Catalog No: AG0002RX MDL No:
Product Description
Catalog Number:
AG0002RX
Chemical Name:
Benzoic acid, 4-(acetyloxy)-, 4-(methoxycarbonyl)phenyl ester
CAS Number:
100743-90-6
Molecular Formula:
C17H14O6
Molecular Weight:
314.2895
IUPAC Name:
(4-methoxycarbonylphenyl) 4-acetyloxybenzoate
InChI:
InChI=1S/C17H14O6/c1-11(18)22-14-7-5-13(6-8-14)17(20)23-15-9-3-12(4-10-15)16(19)21-2/h3-10H,1-2H3
InChI Key:
CDMYPXOUBULKRV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)OC(=O)c1ccc(cc1)OC(=O)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.293g/mol
Monoisotopic Mass:
314.079g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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