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3939-01-3 | Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
CAS No: 3939-01-3 Catalog No: AG00355D MDL No:MFCD00012799
Product Description
Catalog Number:
AG00355D
Chemical Name:
Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
CAS Number:
3939-01-3
Molecular Formula:
C14H18ClNO3
Molecular Weight:
283.7506
MDL Number:
MFCD00012799
IUPAC Name:
methyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C14H17NO3.ClH/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11;/h2-6,12H,7-10H2,1H3;1H
InChI Key:
BRADBAOVPACOQQ-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(CCC1=O)Cc1ccccc1.Cl
EC Number:
223-522-2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.752g/mol
Monoisotopic Mass:
283.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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