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915923-41-0 | 1-ALLYL-6-OXOPIPERIDINE-3-CARBOXYLIC ACID
CAS No: 915923-41-0 Catalog No: AG006GJ4 MDL No:MFCD08691597
Product Description
Catalog Number:
AG006GJ4
Chemical Name:
1-ALLYL-6-OXOPIPERIDINE-3-CARBOXYLIC ACID
CAS Number:
915923-41-0
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
MDL Number:
MFCD08691597
IUPAC Name:
6-oxo-1-prop-2-enylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C9H13NO3/c1-2-5-10-6-7(9(12)13)3-4-8(10)11/h2,7H,1,3-6H2,(H,12,13)
InChI Key:
AOFDOEKCFHBUKP-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(CC=C)C(=O)CC1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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