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Home > Boronic Acids > 1107603-49-5
1107603-49-5 | (3-(ethoxyMethyl)phenyl)boronic acid
CAS No: 1107603-49-5 Catalog No: AG0095HS MDL No:MFCD08701750
Product Description
Catalog Number:
AG0095HS
Chemical Name:
(3-(ethoxyMethyl)phenyl)boronic acid
CAS Number:
1107603-49-5
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD08701750
IUPAC Name:
[3-(ethoxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H13BO3/c1-2-13-7-8-4-3-5-9(6-8)10(11)12/h3-6,11-12H,2,7H2,1H3
InChI Key:
DBQGDLDTWVOSCS-UHFFFAOYSA-N
SMILES:
CCOCc1cccc(c1)B(O)O
Properties
Complexity:
141
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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