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1172902-07-6 | Cyclobutanecarboxylic acid, 1-(aminomethyl)-, methyl ester, hydrochloride (1:1)
CAS No: 1172902-07-6 Catalog No: AG000E26 MDL No:MFCD10758084
Product Description
Catalog Number:
AG000E26
Chemical Name:
Cyclobutanecarboxylic acid, 1-(aminomethyl)-, methyl ester, hydrochloride (1:1)
CAS Number:
1172902-07-6
Molecular Formula:
C7H14ClNO2
Molecular Weight:
179.6446
MDL Number:
MFCD10758084
IUPAC Name:
methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
InChI:
InChI=1S/C7H13NO2.ClH/c1-10-6(9)7(5-8)3-2-4-7;/h2-5,8H2,1H3;1H
InChI Key:
SJRYNNUCUQDHGO-UHFFFAOYSA-N
SMILES:
NCC1(CCC1)C(=O)OC.Cl
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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