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1820575-62-9 | Methyl (2S
CAS No: 1820575-62-9 Catalog No: AG01FO9T MDL No:
Product Description
Catalog Number:
AG01FO9T
Chemical Name:
Methyl (2S
CAS Number:
1820575-62-9
IUPAC Name:
methyl (2S,4S)-4-(3-ethoxyphenoxy)pyrrolidine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C14H19NO4.ClH/c1-3-18-10-5-4-6-11(7-10)19-12-8-13(15-9-12)14(16)17-2;/h4-7,12-13,15H,3,8-9H2,1-2H3;1H/t12-,13-;/m0./s1
InChI Key:
PSNFNSMPDZPULA-QNTKWALQSA-N
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
301.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.767g/mol
Monoisotopic Mass:
301.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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