AG007XC5

1048330-10-4 | (3-(Methoxycarbonyl)-4-methylphenyl)boronic acid

AG007XC5

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CAS Number	1048330-10-4
Catalog Number	AG007XC5(AGN-PC-0AC0ZN)
Chemical Name	(3-(Methoxycarbonyl)-4-methylphenyl)boronic acid
IUPAC Name	(3-methoxycarbonyl-4-methylphenyl)boronic acid
InChI	InChI=1S/C9H11BO4/c1-6-3-4-7(10(12)13)5-8(6)9(11)14-2/h3-5,12-13H,1-2H3
InChI Key	CDWTTYCJDYKRNE-UHFFFAOYSA-N
MDL Number	MFCD13191800
Molecular Formula	C9H11BO4
Molecular Weight	193.9922
SMILES	CC1=CC=C(B(O)O)C=C1C(OC)=O
Synonyms	1048330-10-4, (3-(Methoxycarbonyl)-4-methylphenyl)boronic acid, 3-(METHOXYCARBONYL)-4-METHYLPHENYLBORONIC ACID, [3-(methoxycarbonyl)-4-methylphenyl]boronic acid, BENZOIC ACID, 5-BORONO-2-METHYL-, 1-METHYL ESTER, AK-95102, ACMC-2098db, SCHEMBL15516681, CTK8A9088, KS-00000QQY, DTXSID10716600, CS-B1254, ANW-15117, MFCD13191800, AKOS015893143, ZINC169746748, FCH1163584, METHYL 5-BORONO-2-METHYLBENZOATE, AS-19674, BC001730, OR360185, AX8239834, TC-103862, ST24020340, Y3590, A-9171, I04-2638, 5-BORONO-2-METHYL-BENZOIC ACID, 1-METHYL ESTER, C9H11BO4, ACN-044101,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.075g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	193.993g/mol
Monoisotopic Mass	194.075g/mol
Rotatable Bond Count	3
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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number