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1384745-48-5 | 2-Azetidinecarboxylic acid, 2-methyl-1-(phenylmethyl)-, methyl ester, (2S)-
CAS No: 1384745-48-5 Catalog No: AG00198A MDL No:MFCD28501898
Product Description
Catalog Number:
AG00198A
Chemical Name:
2-Azetidinecarboxylic acid, 2-methyl-1-(phenylmethyl)-, methyl ester, (2S)-
CAS Number:
1384745-48-5
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD28501898
IUPAC Name:
methyl (2S)-1-benzyl-2-methylazetidine-2-carboxylate
InChI:
InChI=1S/C13H17NO2/c1-13(12(15)16-2)8-9-14(13)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3/t13-/m0/s1
InChI Key:
QGWMCHHETIEPNT-ZDUSSCGKSA-N
SMILES:
COC(=O)[C@]1(C)CCN1Cc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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