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Home > Boronic Acids > 306935-91-1
306935-91-1 | Boronic acid, (hexahydro-2,4-dioxo-5-pyrimidinyl)- (9CI)
CAS No: 306935-91-1 Catalog No: AG0030W4 MDL No:
Product Description
Catalog Number:
AG0030W4
Chemical Name:
Boronic acid, (hexahydro-2,4-dioxo-5-pyrimidinyl)- (9CI)
CAS Number:
306935-91-1
Molecular Formula:
C4H7BN2O4
Molecular Weight:
157.9204
IUPAC Name:
(2,4-dioxo-1,3-diazinan-5-yl)boronic acid
InChI:
InChI=1S/C4H7BN2O4/c8-3-2(5(10)11)1-6-4(9)7-3/h2,10-11H,1H2,(H2,6,7,8,9)
InChI Key:
YKAVSUODMYWPJB-UHFFFAOYSA-N
SMILES:
O=C1NCC(C(=O)N1)B(O)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.05g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
157.92g/mol
Monoisotopic Mass:
158.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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