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Home > Boronic Acids > 1334321-26-4
1334321-26-4 | 2-METHOXY-5-(MORPHOLINOMETHYL)PHENYLBORONIC ACID
CAS No: 1334321-26-4 Catalog No: AG01E64F MDL No:
Product Description
Catalog Number:
AG01E64F
Chemical Name:
2-METHOXY-5-(MORPHOLINOMETHYL)PHENYLBORONIC ACID
CAS Number:
1334321-26-4
Molecular Formula:
C12H18BNO4
Molecular Weight:
251.0866
IUPAC Name:
[2-methoxy-5-(morpholin-4-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO4/c1-17-12-3-2-10(8-11(12)13(15)16)9-14-4-6-18-7-5-14/h2-3,8,15-16H,4-7,9H2,1H3
InChI Key:
PBBRXVQPCDQGJN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B(O)O)CN1CCOCC1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.133g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.089g/mol
Monoisotopic Mass:
251.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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