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Home > Boronic Acids > 216485-86-8
216485-86-8 | 3-Isopropoxyphenylboronic acid
CAS No: 216485-86-8 Catalog No: AG007PNT MDL No:MFCD03701512
Product Description
Catalog Number:
AG007PNT
Chemical Name:
3-Isopropoxyphenylboronic acid
CAS Number:
216485-86-8
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD03701512
IUPAC Name:
(3-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-7(2)13-9-5-3-4-8(6-9)10(11)12/h3-7,11-12H,1-2H3
InChI Key:
UKZVUHVNTYDSOP-UHFFFAOYSA-N
SMILES:
CC(Oc1cccc(c1)B(O)O)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.096g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.01g/mol
Monoisotopic Mass:
180.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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