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259214-58-9 | Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, methyl ester, hydrochloride (1:1), (1R,2S)-
CAS No: 259214-58-9 Catalog No: AG002R2O MDL No:
Product Description
Catalog Number:
AG002R2O
Chemical Name:
Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, methyl ester, hydrochloride (1:1), (1R,2S)-
CAS Number:
259214-58-9
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
IUPAC Name:
methyl (1R,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride
InChI:
InChI=1S/C7H11NO2.ClH/c1-3-5-4-7(5,8)6(9)10-2;/h3,5H,1,4,8H2,2H3;1H/t5-,7-;/m1./s1
InChI Key:
LSHLWAMYTKXJPL-HCSZTWNASA-N
SMILES:
COC(=O)[C@@]1(N)C[C@H]1C=C.Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
177.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.628g/mol
Monoisotopic Mass:
177.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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