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180196-56-9 | Cyclopentanecarboxylic acid, 3-amino-, methyl ester, hydrochloride (1:1), (1R,3S)-
CAS No: 180196-56-9 Catalog No: AG0021RO MDL No:MFCD20925820
Product Description
Catalog Number:
AG0021RO
Chemical Name:
Cyclopentanecarboxylic acid, 3-amino-, methyl ester, hydrochloride (1:1), (1R,3S)-
CAS Number:
180196-56-9
Molecular Formula:
C7H14ClNO2
Molecular Weight:
179.6446
MDL Number:
MFCD20925820
IUPAC Name:
methyl (1R,3S)-3-aminocyclopentane-1-carboxylate;hydrochloride
InChI:
InChI=1S/C7H13NO2.ClH/c1-10-7(9)5-2-3-6(8)4-5;/h5-6H,2-4,8H2,1H3;1H/t5-,6+;/m1./s1
InChI Key:
CKMCJNXERREXFB-IBTYICNHSA-N
SMILES:
COC(=O)[C@@H]1CC[C@@H](C1)N.Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
179.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.644g/mol
Monoisotopic Mass:
179.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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