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1559175-47-1 | 2-[2-(AMINOMETHYL)-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]-2-HYDROXYACETALDEHYDE
CAS No: 1559175-47-1 Catalog No: AG01BMG8 MDL No:MFCD21805336
Product Description
Catalog Number:
AG01BMG8
Chemical Name:
2-[2-(AMINOMETHYL)-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]-2-HYDROXYACETALDEHYDE
CAS Number:
1559175-47-1
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD21805336
IUPAC Name:
2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-hydroxyacetaldehyde
InChI:
InChI=1S/C9H15NO3/c10-5-9(7(12)4-11)3-6-1-2-8(9)13-6/h4,6-8,12H,1-3,5,10H2
InChI Key:
FVQPTLDEHSXFFF-UHFFFAOYSA-N
SMILES:
NCC1(CC2OC1CC2)C(C=O)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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