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Home > Other Heterocycles > 1824405-35-7
1824405-35-7 | {2-azabicyclo[2.2.1]hept-5-en-3-yl}methanol, Mixture of diastereomers
CAS No: 1824405-35-7 Catalog No: AG01DZ3J MDL No:MFCD24498547
Product Description
Catalog Number:
AG01DZ3J
Chemical Name:
{2-azabicyclo[2.2.1]hept-5-en-3-yl}methanol, Mixture of diastereomers
CAS Number:
1824405-35-7
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD24498547
IUPAC Name:
2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol
InChI:
InChI=1S/C7H11NO/c9-4-7-5-1-2-6(3-5)8-7/h1-2,5-9H,3-4H2
InChI Key:
QSBGEVOWMREJOW-UHFFFAOYSA-N
SMILES:
OCC1NC2CC1C=C2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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