AG006B02

95752-86-6 | 2-Formylphenylboronic acid, neopentyl glycol ester

AG006B02

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CAS Number	95752-86-6
Catalog Number	AG006B02(AGN-PC-0WA6RS)
Chemical Name	2-Formylphenylboronic acid, neopentyl glycol ester
IUPAC Name	2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
InChI	InChI=1S/C12H15BO3/c1-12(2)8-15-13(16-9-12)11-6-4-3-5-10(11)7-14/h3-7H,8-9H2,1-2H3
InChI Key	BJRXNDLMZZAOAB-UHFFFAOYSA-N
MDL Number	MFCD04039025
Molecular Formula	C12H15BO3
Molecular Weight	218.0567
SMILES	CC(COB1C2=CC=CC=C2C=O)(CO1)C
Synonyms	95752-86-6, 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde, 2-formylphenylboronic acid, neopentyl glycol ester, (2-FORMYLPHENYL)BORONIC ACID NEOPENTYL GLYCOL ESTER, 2-Formylbenzeneboronic acid 2,2-dimethylpropanediol-1,3 cyclic ester, 2-Formylphenylboronic acid neopentyl glycol ester, Benzaldehyde,2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, AC1N5NPN, SCHEMBL14044148, CTK8B3953, DTXSID20400720, ZX-AT019651, ANW-43538, MFCD04039025, OR3975, AKOS025293598, ZINC169807913, AB17276, FCH2717326, VB10429, TR-030063, FT-0642311, B-1241, A845455, C-11858, 2-(5,5-Dimethyl-1,3,2-dioxaborinane-2-yl)benzaldehyde, 2-formylphenyl boronic acid, BJRXNDLMZZAOAB-UHFFFAOYSA-N, CID4197994,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.111g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.059g/mol
Monoisotopic Mass	218.111g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.5A^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

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