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88197-41-5 | Benzeneacetic acid, a,4-bis[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 88197-41-5 Catalog No: AG004C7X MDL No:
Product Description
Catalog Number:
AG004C7X
Chemical Name:
Benzeneacetic acid, a,4-bis[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
88197-41-5
Molecular Formula:
C18H26N2O6
Molecular Weight:
366.4088
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
InChI:
InChI=1S/C18H26N2O6/c1-17(2,3)25-15(23)19-12-9-7-11(8-10-12)13(14(21)22)20-16(24)26-18(4,5)6/h7-10,13H,1-6H3,(H,19,23)(H,20,24)(H,21,22)
InChI Key:
YHJJSEHJTOCAFF-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)N)C(C(=O)OC(C)(C)C)(C(=O)O)N)OC(C)(C)C
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
366.414g/mol
Monoisotopic Mass:
366.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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