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498-95-3 | H-DL-Nip-OH
CAS No: 498-95-3 Catalog No: AG003T49 MDL No:MFCD00005992
Product Description
Catalog Number:
AG003T49
Chemical Name:
H-DL-Nip-OH
CAS Number:
498-95-3
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
MDL Number:
MFCD00005992
IUPAC Name:
piperidine-3-carboxylic acid
InChI:
InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)
InChI Key:
XJLSEXAGTJCILF-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCNC1
EC Number:
207-873-9
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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