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1214824-64-2 | 1H-1,4-Diazepine-1,5-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) ester
CAS No: 1214824-64-2 Catalog No: AG00150H MDL No:
Product Description
Catalog Number:
AG00150H
Chemical Name:
1H-1,4-Diazepine-1,5-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) ester
CAS Number:
1214824-64-2
Molecular Formula:
C11H19N2O4-
Molecular Weight:
243.2796
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-5-carboxylic acid
InChI:
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-6-4-8(9(14)15)12-5-7-13/h8,12H,4-7H2,1-3H3,(H,14,15)
InChI Key:
OUSYNRPMPAVSRQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCNC(CC1)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.291g/mol
Monoisotopic Mass:
244.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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