AG006BM3

913835-29-7 | 4-(3-Hydroxypropylcarbamoyl)phenylboronic acid

AG006BM3

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CAS Number	913835-29-7
Catalog Number	AG006BM3(AGN-PC-0713K2)
Chemical Name	4-(3-Hydroxypropylcarbamoyl)phenylboronic acid
IUPAC Name	[4-(3-hydroxypropylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C10H14BNO4/c13-7-1-6-12-10(14)8-2-4-9(5-3-8)11(15)16/h2-5,13,15-16H,1,6-7H2,(H,12,14)
InChI Key	VDMQHVJGIAQUHA-UHFFFAOYSA-N
MDL Number	MFCD31666594
Molecular Formula	C10H14BNO4
Molecular Weight	223.0335
SMILES	O=C(C1=CC=C(B(O)O)C=C1)NCCCO
Synonyms	913835-29-7, (4-((3-Hydroxypropyl)carbamoyl)phenyl)boronic acid, 4-(3-Hydroxypropylcarbamoyl)phenylboronic acid, 4-[(3-Hydroxypropyl)carbamoyl]benzeneboronic acid, {4-[(3-Hydroxypropyl)carbamoyl]phenyl}boronic acid, ACMC-209r90, SCHEMBL2556196, CTK3I6354, DTXSID10657448, ANW-39586, MFCD08235076, AKOS015856402, ZINC169745683, RTR-028623, TR-028623, FT-0687809, V8991, B-4431, 4-[(3-hydroxypropyl)carbamoyl]phenylboronic acid, I04-2987, Boronicacid, B-[4-[[(3-hydroxypropyl)amino]carbonyl]phenyl]-, Boronicacid,b-[4-[[(3-hydroxypropyl)amino]carbonyl]phenyl]-, C10H14BNO4, ACN-042788, 4-(3-Hydroxypropylcarbamoyl)benzeneboronic acid, (4-((3-Hydroxypropyl)carbamoyl)phenyl)boronicacid,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.102g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	223.035g/mol
Monoisotopic Mass	223.102g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	89.8A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number