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197585-42-5 | 1,4-Piperidinedicarboxylic acid, 1-methyl ester
CAS No: 197585-42-5 Catalog No: AG002AWA MDL No:MFCD02082494
Product Description
Catalog Number:
AG002AWA
Chemical Name:
1,4-Piperidinedicarboxylic acid, 1-methyl ester
CAS Number:
197585-42-5
Molecular Formula:
C8H12NO4-
Molecular Weight:
186.1852
MDL Number:
MFCD02082494
IUPAC Name:
1-methoxycarbonylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C8H13NO4/c1-13-8(12)9-4-2-6(3-5-9)7(10)11/h6H,2-5H2,1H3,(H,10,11)
InChI Key:
FDQGMCHKKYRKCB-UHFFFAOYSA-N
SMILES:
COC(=O)N1CCC(CC1)C(=O)[O-]
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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