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887595-92-8 | Methyl 1-(4-aminophenyl)azetidine-3-carboxylate
CAS No: 887595-92-8 Catalog No: AG004D0M MDL No:
Product Description
Catalog Number:
AG004D0M
Chemical Name:
Methyl 1-(4-aminophenyl)azetidine-3-carboxylate
CAS Number:
887595-92-8
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
IUPAC Name:
methyl 1-(4-aminophenyl)azetidine-3-carboxylate
InChI:
InChI=1S/C11H14N2O2/c1-15-11(14)8-6-13(7-8)10-4-2-9(12)3-5-10/h2-5,8H,6-7,12H2,1H3
InChI Key:
DDGWKLRKBZGPLK-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(C1)c1ccc(cc1)N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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