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Home > Boronic Acids > 1265355-07-4
1265355-07-4 | 2,1-Benzoxaborole-3-acetic acid, 1,3-dihydro-1,6-dihydroxy-4-methyl-, ethyl ester
CAS No: 1265355-07-4 Catalog No: AG000SWH MDL No:
Product Description
Catalog Number:
AG000SWH
Chemical Name:
2,1-Benzoxaborole-3-acetic acid, 1,3-dihydro-1,6-dihydroxy-4-methyl-, ethyl ester
CAS Number:
1265355-07-4
Molecular Formula:
C12H15BO5
Molecular Weight:
250.0555
IUPAC Name:
ethyl 2-(1,6-dihydroxy-4-methyl-3H-2,1-benzoxaborol-3-yl)acetate
InChI:
InChI=1S/C12H15BO5/c1-3-17-11(15)6-10-12-7(2)4-8(14)5-9(12)13(16)18-10/h4-5,10,14,16H,3,6H2,1-2H3
InChI Key:
ZZJKZPVIMQQBMR-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1OB(c2c1c(C)cc(c2)O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.057g/mol
Monoisotopic Mass:
250.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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