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Home > Boronic Acids > 1253911-87-3
1253911-87-3 | Boronic acid, B-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-
CAS No: 1253911-87-3 Catalog No: AG000NM8 MDL No:
Product Description
Catalog Number:
AG000NM8
Chemical Name:
Boronic acid, B-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-
CAS Number:
1253911-87-3
Molecular Formula:
C8H10BNO3
Molecular Weight:
178.9809
IUPAC Name:
3,4-dihydro-2H-1,4-benzoxazin-7-ylboronic acid
InChI:
InChI=1S/C8H10BNO3/c11-9(12)6-1-2-7-8(5-6)13-4-3-10-7/h1-2,5,10-12H,3-4H2
InChI Key:
WYQDDUNFURCWPS-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)OCCN2)O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
178.982g/mol
Monoisotopic Mass:
179.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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