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Home > Aldehydes > 1502413-29-7
1502413-29-7 | 2-[4-(AMINOMETHYL)OXAN-4-YL]-2-HYDROXYACETALDEHYDE
CAS No: 1502413-29-7 Catalog No: AG01BMTQ MDL No:MFCD21805334
Product Description
Catalog Number:
AG01BMTQ
Chemical Name:
2-[4-(AMINOMETHYL)OXAN-4-YL]-2-HYDROXYACETALDEHYDE
CAS Number:
1502413-29-7
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
MDL Number:
MFCD21805334
IUPAC Name:
2-[4-(aminomethyl)oxan-4-yl]-2-hydroxyacetaldehyde
InChI:
InChI=1S/C8H15NO3/c9-6-8(7(11)5-10)1-3-12-4-2-8/h5,7,11H,1-4,6,9H2
InChI Key:
WSCRZEFUNQRJME-UHFFFAOYSA-N
SMILES:
NCC1(CCOCC1)C(C=O)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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