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6970-50-9 | Benzoic acid,2-(benzoyloxy)-4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS No: 6970-50-9 Catalog No: AG0068RO MDL No:
Product Description
Catalog Number:
AG0068RO
Chemical Name:
Benzoic acid,2-(benzoyloxy)-4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS Number:
6970-50-9
Molecular Formula:
C23H19NO6
Molecular Weight:
405.4001
IUPAC Name:
methyl 2-benzoyloxy-4-(phenylmethoxycarbonylamino)benzoate
InChI:
InChI=1S/C23H19NO6/c1-28-22(26)19-13-12-18(24-23(27)29-15-16-8-4-2-5-9-16)14-20(19)30-21(25)17-10-6-3-7-11-17/h2-14H,15H2,1H3,(H,24,27)
InChI Key:
JTUGHSNKCKRVBR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1OC(=O)c1ccccc1)NC(=O)OCc1ccccc1
NSC Number:
61672
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.121g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
405.406g/mol
Monoisotopic Mass:
405.121g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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