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Home > Aldehydes > 1195621-94-3
1195621-94-3 | 1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbaldehyde
CAS No: 1195621-94-3 Catalog No: AG0091H8 MDL No:MFCD20527852
Product Description
Catalog Number:
AG0091H8
Chemical Name:
1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbaldehyde
CAS Number:
1195621-94-3
Molecular Formula:
C8H7BO3
Molecular Weight:
161.9504
MDL Number:
MFCD20527852
IUPAC Name:
1-hydroxy-3H-2,1-benzoxaborole-6-carbaldehyde
InChI:
InChI=1S/C8H7BO3/c10-4-6-1-2-7-5-12-9(11)8(7)3-6/h1-4,11H,5H2
InChI Key:
YLGANGBKLJIMCH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)B(O)OC2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.951g/mol
Monoisotopic Mass:
162.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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