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Home > Boronic Acids > 847345-37-3
847345-37-3 | (5-Ethyl-2-methoxyphenyl);boronic acid
CAS No: 847345-37-3 Catalog No: AG004YND MDL No:MFCD18783129
Product Description
Catalog Number:
AG004YND
Chemical Name:
(5-Ethyl-2-methoxyphenyl);boronic acid
CAS Number:
847345-37-3
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD18783129
IUPAC Name:
(5-ethyl-2-methoxyphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-3-7-4-5-9(13-2)8(6-7)10(11)12/h4-6,11-12H,3H2,1-2H3
InChI Key:
RJACNUQXPIDDEV-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)B(O)O)OC
Properties
Complexity:
152
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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