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Home > Boronic Acids > 947547-41-3
947547-41-3 | 3-ETHYL-4-METHOXYPHENYLBORONIC ACID
CAS No: 947547-41-3 Catalog No: AG00IIIM MDL No:
Product Description
Catalog Number:
AG00IIIM
Chemical Name:
3-ETHYL-4-METHOXYPHENYLBORONIC ACID
CAS Number:
947547-41-3
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
IUPAC Name:
(3-ethyl-4-methoxyphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-3-7-6-8(10(11)12)4-5-9(7)13-2/h4-6,11-12H,3H2,1-2H3
InChI Key:
OMAZGRPOBAPVHB-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1OC)B(O)O
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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