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1260839-87-9 | 3-Azetidinecarboxylic acid, 1-[(3,4-dimethoxyphenyl)methyl]-
CAS No: 1260839-87-9 Catalog No: AG000REO MDL No:
Product Description
Catalog Number:
AG000REO
Chemical Name:
3-Azetidinecarboxylic acid, 1-[(3,4-dimethoxyphenyl)methyl]-
CAS Number:
1260839-87-9
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]azetidine-3-carboxylic acid
InChI:
InChI=1S/C13H17NO4/c1-17-11-4-3-9(5-12(11)18-2)6-14-7-10(8-14)13(15)16/h3-5,10H,6-8H2,1-2H3,(H,15,16)
InChI Key:
QNLRIWZBAXDSEN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CN1CC(C1)C(=O)O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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