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1823952-21-1 | 4H,6H,7H-PYRANO[3,4-D][1,3]OXAZOL-2-YLMETHANOL
CAS No: 1823952-21-1 Catalog No: AG01BI20 MDL No:MFCD26518748
Product Description
Catalog Number:
AG01BI20
Chemical Name:
4H,6H,7H-PYRANO[3,4-D][1,3]OXAZOL-2-YLMETHANOL
CAS Number:
1823952-21-1
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD26518748
IUPAC Name:
6,7-dihydro-4H-pyrano[3,4-d][1,3]oxazol-2-ylmethanol
InChI:
InChI=1S/C7H9NO3/c9-3-7-8-5-4-10-2-1-6(5)11-7/h9H,1-4H2
InChI Key:
MSAKOMCSDAVBOK-UHFFFAOYSA-N
SMILES:
OCc1nc2c(o1)CCOC2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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