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874832-33-4 | 1-(2-FURYLMETHYL)PIPERIDINE-4-CARBOXYLIC ACID
CAS No: 874832-33-4 Catalog No: AG004FML MDL No:MFCD06808659
Product Description
Catalog Number:
AG004FML
Chemical Name:
1-(2-FURYLMETHYL)PIPERIDINE-4-CARBOXYLIC ACID
CAS Number:
874832-33-4
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD06808659
IUPAC Name:
1-(furan-2-ylmethyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C11H15NO3/c13-11(14)9-3-5-12(6-4-9)8-10-2-1-7-15-10/h1-2,7,9H,3-6,8H2,(H,13,14)
InChI Key:
IODLAFGCWHHWTO-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)Cc1ccco1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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