4-[1-(ethoxycarbonyl)cyclopropyl]phenylboronic acid

4-[1-(ethoxycarbonyl)cyclopropyl]phenylboronic acid

CAS: 1678539-52-0

Formula: C12H15BO4

SMILES: CCOC(=O)C1(CC1)C1=CC=C(C=C1)B(O)O

IUPAC: {4-[1-(ethoxycarbonyl)cyclopropyl]phenyl}boronic acid

InChI: InChI=1S/C12H15BO4/c1-2-17-11(14)12(7-8-12)9-3-5-10(6-4-9)13(15)16/h3-6,15-16H,2,7-8H2,1H3

Composition: C (61.58%), H (6.46%), B (4.62%), O (27.34%)

Molar Mass: 234.06

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.106339
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IGXGGWGUOKCYGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.7
Topological Polar Surface Area	66.76
Polarizability	24.62
Ring Count	2
Rotatable Bond Count	5

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