3-Isoproproxy-4-methylphenylboronic acid

CAT: 0127-OR1096946Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

1451390-96-7

MDL Number

MFCD11617254

Smiles

C1 (c (ccc (c1) B (O) O) C) OC (C) C

Chemical Information

(3-Isopropoxy-4-methylphenyl)boronic acid

CAS Number	1451390-96-7
PubChem CID	55269092
IUPAC Name	(4-methyl-3-propan-2-yloxyphenyl)boronic acid
Molecular Formula	C10H15BO3
Molecular Weight	194.04
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	173

SMILES

B(C1=CC(=C(C=C1)C)OC(C)C)(O)O

InChI

InChI=1S/C10H15BO3/c1-7(2)14-10-6-9(11(12)13)5-4-8(10)3/h4-7,12-13H,1-3H3

InChIKey

QVLSKSUTMJVODT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1451390-96-7

CID: 55269092

Formula: C10H15BO3

MW: 194.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.04
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	194.1114245
Monoisotopic Mass	194.1114245
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	173
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1097579	2-Isopropoxy-4-methylphenylboronic acid
OR361299-01	3-Isopropoxy-5-methylphenylboronic acid
OR1087405	4- (Benzyloxycarbonyl) -3-methylphenylboronic acid
OR360209	3-Carboxy-4-methylphenylboronic acid
OR908364-01	3-Hydroxymethyl-4-methylphenylboronic acid
OR1095973-01	3-Ethoxy-4-methylphenylboronic acid
OR1094047	4-Isopropyl-3-methylphenylboronic acid
OR360196-01	3-Formyl-4-methylphenylboronic acid
OR360212-01	3- (Benzyloxy) -4-methylphenylboronic acid
OR360216-01	3-Bromo-4-methylphenylboronic acid

Catalog	Name
281714-01	4-Methylphenylboronic acid
432763-01	4-Hydroxymethyl-3-methylphenylboronic acid
432528-01	4-Formyl-3-methylphenylboronic acid
431378-01	4-Carboxy-3-methylphenylboronic acid
430445-01	4-Benzyloxy-3-methylphenylboronic acid
426044-01	3-Hydroxymethyl-4-methylphenylboronic acid
425658-01	3-Fluoro-4-methylphenylboronic acid
423067-01	3- (Benzyloxy) -4-methylphenylboronic acid
sc-238881	4-Methoxy-3-methylphenylboronic acid
RIA01935-01	3-Hydroxy-4-methylphenylboronic acid