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10054-21-4 | 3-Pyrrolidinecarboxylic acid, 1-dodecyl-5-oxo-
CAS No: 10054-21-4 Catalog No: AG0002AO MDL No:MFCD01688135
Product Description
Catalog Number:
AG0002AO
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-dodecyl-5-oxo-
CAS Number:
10054-21-4
Molecular Formula:
C17H31NO3
Molecular Weight:
297.4329
MDL Number:
MFCD01688135
IUPAC Name:
1-dodecyl-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17(20)21)13-16(18)19/h15H,2-14H2,1H3,(H,20,21)
InChI Key:
ZNQTZHTYSHEJLH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1CC(CC1=O)C(=O)O
EC Number:
233-182-7
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.23g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.439g/mol
Monoisotopic Mass:
297.23g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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