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127310-66-1 | 2,4-Azetidinedimethanol, 1-(phenylmethyl)-, (2R,4S)-rel-
CAS No: 127310-66-1 Catalog No: AG000WXD MDL No:MFCD28991841
Product Description
Catalog Number:
AG000WXD
Chemical Name:
2,4-Azetidinedimethanol, 1-(phenylmethyl)-, (2R,4S)-rel-
CAS Number:
127310-66-1
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD28991841
IUPAC Name:
[1-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol
InChI:
InChI=1S/C12H17NO2/c14-8-11-6-12(9-15)13(11)7-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2
InChI Key:
STVDKEPRJUNWSZ-UHFFFAOYSA-N
SMILES:
OC[C@@H]1C[C@@H](N1Cc1ccccc1)CO
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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