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Home > Boronic Acids > 301699-39-8
301699-39-8 | 3,5-Dimethyl-4-methoxyphenylboronic acid
CAS No: 301699-39-8 Catalog No: AG00BBQY MDL No:MFCD01114648
Product Description
Catalog Number:
AG00BBQY
Chemical Name:
3,5-Dimethyl-4-methoxyphenylboronic acid
CAS Number:
301699-39-8
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD01114648
IUPAC Name:
(4-methoxy-3,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5,11-12H,1-3H3
InChI Key:
WZUCSPWZHRVOSD-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)B(O)O
Properties
Complexity:
151
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:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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