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100580-09-4

100580-09-4 | 4-Pyrimidinol, 3,4,5,6-tetrahydro-

CAS No: 100580-09-4 Catalog No: AG0002DU MDL No:

Product Description

Catalog Number:
AG0002DU
Chemical Name:
4-Pyrimidinol, 3,4,5,6-tetrahydro-
CAS Number:
100580-09-4
Molecular Formula:
C4H8N2O
Molecular Weight:
100.1191
IUPAC Name:
1,4,5,6-tetrahydropyrimidin-6-ol
InChI:
InChI=1S/C4H8N2O/c7-4-1-2-5-3-6-4/h3-4,7H,1-2H2,(H,5,6)
InChI Key:
CBZAWTCKVPZIOB-UHFFFAOYSA-N
SMILES:
OC1CCN=CN1

Properties

Complexity:
81.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.064g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
100.121g/mol
Monoisotopic Mass:
100.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

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