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Home > Boronic Acids > 1704073-94-8
1704073-94-8 | (4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylMethyl)phenyl)boronic acid
CAS No: 1704073-94-8 Catalog No: AG00ARCM MDL No:MFCD28400351
Product Description
Catalog Number:
AG00ARCM
Chemical Name:
(4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylMethyl)phenyl)boronic acid
CAS Number:
1704073-94-8
Molecular Formula:
C14H20BNO4
Molecular Weight:
277.1239
MDL Number:
MFCD28400351
IUPAC Name:
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C14H20BNO4/c17-15(18)13-3-1-12(2-4-13)11-16-7-5-14(6-8-16)19-9-10-20-14/h1-4,17-18H,5-11H2
InChI Key:
JKIZTNBKBGWIAF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CN1CCC2(CC1)OCCO2)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.149g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.127g/mol
Monoisotopic Mass:
277.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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