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279262-31-6 | 4-Ethoxymethylphenylboronic acid
CAS No: 279262-31-6 Catalog No: AG00BGX5 MDL No:MFCD08701751
Product Description
Catalog Number:
AG00BGX5
Chemical Name:
4-Ethoxymethylphenylboronic acid
CAS Number:
279262-31-6
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD08701751
IUPAC Name:
[4-(ethoxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H13BO3/c1-2-13-7-8-3-5-9(6-4-8)10(11)12/h3-6,11-12H,2,7H2,1H3
InChI Key:
DGUPNEQXGIBFDX-UHFFFAOYSA-N
SMILES:
CCOCc1ccc(cc1)B(O)O
Properties
Complexity:
133
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:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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