CAS
913835-69-5 Purity
95%
913835-69-5 Purity
95%
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Benzoicacid,3-borono-5-[[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)
CAS
913835-72-0
Catalog Number
ACM913835720
Category
Other Products
Molecular Weight
281.06954
Molecular Formula
C12H16BNO6
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Specification
Synonyms
913835-72-0, 3-(N-Boc-Amino)-5-carboxyphenylboronic acid, 3-Borono-5-((tert-butoxycarbonyl)amino)benzoic acid, ACMC-209r9x, SureCN3461877, CTK3I6388, MolPort-001-768-251, ANW-39619, OR3306, AKOS015836912, AG-H-74943, AK-91810, BD229983, KB-27678, FT-0687795, 3-(N-Boc-Amino)-5-carboxyphenylboronic acid,, B-4093, I04-1924, 3-Amino-5-carboxybenzeneboronic acid, N-BOC protected, 3-[(tert-butoxycarbonyl)amino]-5-(dihydroxyboranyl)benzoic acid
IUPAC Name
3-borono-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Canonical SMILES
B(C1=CC(=CC(=C1)NC(=O)OC(C)(C)C)C(=O)O)(O)O
InChI Key
DDZVPNHBJRCXEI-UHFFFAOYSA-N
Melting Point
>300ºC
Density
1.33g/cm³
Exact Mass
281.10700
Hazard Statements
Xi
H-Bond Acceptor
6
H-Bond Donor
4
What is the molecular formula of Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)?
The molecular formula is C12H16BNO6.
What is the molecular weight of Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)?
The molecular weight is 281.07 g/mol.
When was Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci) first created in PubChem?
It was first created on July 21, 2009.
What is the IUPAC name of Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)?
The IUPAC name is 3-borono-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid.
What is the InChIKey of Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)?
The InChIKey is DDZVPNHBJRCXEI-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci) have?
It has 4 hydrogen bond donor counts.
What is the exact mass of Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)?
The exact mass is 281.1070674 g/mol.
How many defined atom stereocenter counts does Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci) have?
It has 0 defined atom stereocenter counts.
What is the topological polar surface area of Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)?
The topological polar surface area is 116 Ų.
Is Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci) a canonicalized compound?
Yes, it is a canonicalized compound.
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