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1009376-52-6 | 1,3-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) ester
CAS No: 1009376-52-6 Catalog No: AG00038O MDL No:MFCD10688324
Product Description
Catalog Number:
AG00038O
Chemical Name:
1,3-Piperidinedicarboxylic acid, 4-methyl-, 1-(1,1-dimethylethyl) ester
CAS Number:
1009376-52-6
Molecular Formula:
C12H20NO4-
Molecular Weight:
242.2915
MDL Number:
MFCD10688324
IUPAC Name:
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C12H21NO4/c1-8-5-6-13(7-9(8)10(14)15)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)
InChI Key:
IFPZGYNNPYYDGA-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1C(=O)[O-])C(=O)OC(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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