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480424-49-5 | 3-FORMYL-2-METHOXYBENZENEBORONIC ACID 98
CAS No: 480424-49-5 Catalog No: AG00D9R8 MDL No:MFCD08689486
Product Description
Catalog Number:
AG00D9R8
Chemical Name:
3-FORMYL-2-METHOXYBENZENEBORONIC ACID 98
CAS Number:
480424-49-5
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD08689486
IUPAC Name:
(3-formyl-2-methoxyphenyl)boronic acid
InChI:
InChI=1S/C8H9BO4/c1-13-8-6(5-10)3-2-4-7(8)9(11)12/h2-5,11-12H,1H3
InChI Key:
DUROSIJIMLRFHR-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1OC)B(O)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.966g/mol
Monoisotopic Mass:
180.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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