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1049734-07-7 | 3-Pyrrolidinecarboxylic acid, 4-(1-naphthalenyl)-, hydrochloride (1:1), (3S,4R)
CAS No: 1049734-07-7 Catalog No: AG003A0E MDL No:MFCD06659280
Product Description
Catalog Number:
AG003A0E
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-(1-naphthalenyl)-, hydrochloride (1:1), (3S,4R)
CAS Number:
1049734-07-7
Molecular Formula:
C15H16ClNO2
Molecular Weight:
277.7460
MDL Number:
MFCD06659280
IUPAC Name:
(3S,4R)-4-naphthalen-1-ylpyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C15H15NO2.ClH/c17-15(18)14-9-16-8-13(14)12-7-3-5-10-4-1-2-6-11(10)12;/h1-7,13-14,16H,8-9H2,(H,17,18);1H/t13-,14+;/m0./s1
InChI Key:
PHHZADOJTQLSMJ-LMRHVHIWSA-N
SMILES:
OC(=O)[C@@H]1CNC[C@H]1c1cccc2c1cccc2.Cl
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
277.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.748g/mol
Monoisotopic Mass:
277.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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