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70637-75-1 | Ethyl 3-oxopiperidine-4-carboxylate
CAS No: 70637-75-1 Catalog No: AG005H7D MDL No:MFCD08460045
Product Description
Catalog Number:
AG005H7D
Chemical Name:
Ethyl 3-oxopiperidine-4-carboxylate
CAS Number:
70637-75-1
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD08460045
IUPAC Name:
ethyl 3-oxopiperidine-4-carboxylate
InChI:
InChI=1S/C8H13NO3/c1-2-12-8(11)6-3-4-9-5-7(6)10/h6,9H,2-5H2,1H3
InChI Key:
QPXNWTGYAKMATA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCNCC1=O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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