AG0036FS

850568-78-4 | (3-Propoxycarbonyl)phenylboronic acid

AG0036FS

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CAS Number	850568-78-4
Catalog Number	AG0036FS(AGN-PC-03X8LK)
Chemical Name	(3-Propoxycarbonyl)phenylboronic acid
IUPAC Name	(3-propoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C10H13BO4/c1-2-6-15-10(12)8-4-3-5-9(7-8)11(13)14/h3-5,7,13-14H,2,6H2,1H3
InChI Key	BSCFVVVAJINDLA-UHFFFAOYSA-N
MDL Number	MFCD06659851
Molecular Formula	C10H13BO4
Molecular Weight	208.0188
SMILES	c1(cccc(c1)B(O)O)C(=O)OCCC
Synonyms	850568-78-4, 3-(Propoxycarbonyl)phenylboronic acid, 3-propoxycarbonylphenylboronic acid, Propyl 3-boronobenzoate, (3-propoxycarbonylphenyl)boronic acid, MFCD06659851, 3-(Propoxycarbonyl)benzeneboronic acid, [3-(Propoxycarbonyl)phenyl]boronic acid, 3-(Propoxycarbonyl)Benzeneboronic Acid 97%, 3-boronobenzoate, akos brn-0774, KSC447O4H, 3-(propoxycarbonyl)phenylboron, CTK3E7743, DTXSID80629637, KS-000000PI, ZX-AT009991, ANW-48414, CP-333, OR3965, (3-propoxycarbonyl)benzeneboronic acid, AKOS004113801, ZINC169745325, AB26472, RTR-026537, AK-45884, AN-27028, AS-44323, BC000991, BR-45884, N199, [3-[oxo(propoxy)methyl]phenyl]boronic acid, AX8008125, DB-010502, ST2405183, TL8005554, TR-026537, FT-0678858, 3-(n-propoxycarbonyl)benzeneboronic acid, 97%, B-5366, 568P784, A841137, I01-7936, 3- phenylboronicacid, C10H13BO4, 3-Propoxycarbonylphenylboronicacid, (3-Propoxycarbonyl)phenylboronic acid, 3-(N-PROPOXYCARBONYL)PHENYLBORONIC ACID, 3-(N-PROPOXYCARBONYL)BENZENEBORONIC ACID,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.091g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	208.02g/mol
Monoisotopic Mass	208.091g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
UN Code

Certificate of Analysis

Lot Number