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18085-37-5 | 2-Azetidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester
CAS No: 18085-37-5 Catalog No: AG0022E0 MDL No:MFCD06657098
Product Description
Catalog Number:
AG0022E0
Chemical Name:
2-Azetidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester
CAS Number:
18085-37-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD06657098
IUPAC Name:
methyl 1-benzylazetidine-2-carboxylate
InChI:
InChI=1S/C12H15NO2/c1-15-12(14)11-7-8-13(11)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChI Key:
CTFFWKWHYDAMKP-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN1Cc1ccccc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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