4-(prop-2-en-1-yl)phenylboronic acid

4-(prop-2-en-1-yl)phenylboronic acid

CAS: 186497-79-0

Formula: C9H11BO2

SMILES: OB(O)C1=CC=C(CC=C)C=C1

IUPAC: [4-(prop-2-en-1-yl)phenyl]boronic acid

InChI: InChI=1S/C9H11BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2,4-7,11-12H,1,3H2

Composition: C (66.73%), H (6.84%), B (6.67%), O (19.75%)

Molar Mass: 162

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	162.08521
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	IPVFCMQTGYFNAN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.89
Topological Polar Surface Area	40.46
Polarizability	18.83
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	186497-79-0		$1,300.00-$1,860.00$1,300.00$1,860.00