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887595-85-9 | 3-Azetidinecarboxylicacid, 1-(4-aminophenyl)-
CAS No: 887595-85-9 Catalog No: AG004D0O MDL No:MFCD07787203
Product Description
Catalog Number:
AG004D0O
Chemical Name:
3-Azetidinecarboxylicacid, 1-(4-aminophenyl)-
CAS Number:
887595-85-9
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
MDL Number:
MFCD07787203
IUPAC Name:
1-(4-aminophenyl)azetidine-3-carboxylic acid
InChI:
InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-7(6-12)10(13)14/h1-4,7H,5-6,11H2,(H,13,14)
InChI Key:
JARYMOYIHDKMCS-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C1)c1ccc(cc1)N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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