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1392804-34-0 | Cyclobutanecarboxylic acid, 3-amino-2,2-dimethyl-, methyl ester, hydrochloride (1:1)
CAS No: 1392804-34-0 Catalog No: AG001AOA MDL No:MFCD22565952
Product Description
Catalog Number:
AG001AOA
Chemical Name:
Cyclobutanecarboxylic acid, 3-amino-2,2-dimethyl-, methyl ester, hydrochloride (1:1)
CAS Number:
1392804-34-0
Molecular Formula:
C8H16ClNO2
Molecular Weight:
193.6711
MDL Number:
MFCD22565952
IUPAC Name:
methyl 3-amino-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
InChI:
InChI=1S/C8H15NO2.ClH/c1-8(2)5(4-6(8)9)7(10)11-3;/h5-6H,4,9H2,1-3H3;1H
InChI Key:
YNGIJCQPNBJXTP-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(C1(C)C)N.Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.671g/mol
Monoisotopic Mass:
193.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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