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Home > Boronic Acids > 852946-98-6
852946-98-6 | 2-Ethyl-5-Methoxyphenylboronic acid
CAS No: 852946-98-6 Catalog No: AG00G94W MDL No:MFCD18783130
Product Description
Catalog Number:
AG00G94W
Chemical Name:
2-Ethyl-5-Methoxyphenylboronic acid
CAS Number:
852946-98-6
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD18783130
IUPAC Name:
(2-ethyl-5-methoxyphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-3-7-4-5-8(13-2)6-9(7)10(11)12/h4-6,11-12H,3H2,1-2H3
InChI Key:
RPWSVXFPDYETAQ-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1B(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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