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Home > Other Heterocycles > 871727-08-1
871727-08-1 | 3-Azabicyclo[3.1.0]hexane-6-methanol, 3-(phenylmethyl)-
CAS No: 871727-08-1 Catalog No: AG004KDF MDL No:
Product Description
Catalog Number:
AG004KDF
Chemical Name:
3-Azabicyclo[3.1.0]hexane-6-methanol, 3-(phenylmethyl)-
CAS Number:
871727-08-1
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol
InChI:
InChI=1S/C13H17NO/c15-9-13-11-7-14(8-12(11)13)6-10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2
InChI Key:
NMJRXNUMGKZPHG-UHFFFAOYSA-N
SMILES:
OCC1C2C1CN(C2)Cc1ccccc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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