NSC 10743

CAS: 3481-02-5 | C10H10O

2D Structure

Loading 3D structure...

CAS Registry Number

3481-02-5

SMILES

O=C(c1ccccc1)C1CC1

InChI Key

PJRHFTYXYCVOSJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	146.19 g/mol	CAS Common Chemistry
	146.18899999999994 g/mol	RDKit
	146.189 g/mol	RDKit
Density	1.05 g/cm³	CAS Common Chemistry
	1.0453 g/cm3 @ 26 °C	CAS Common Chemistry
Boiling Point	122 °C	CAS Common Chemistry
Canonical SMILES	O=C(C=1C=CC=CC1)C2CC2	CAS Common Chemistry
InChI	InChI=1S/C10H10O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2	CAS Common Chemistry
InChI Key	InChIKey=PJRHFTYXYCVOSJ-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-7.9 °C	CAS Common Chemistry
Name	Benzoylcyclopropane	CAS Common Chemistry
Heavy Atom Count	11	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	17.07 Å²	RDKit
LogP	2.2793	RDKit
Molar Refractivity	43.496500000000026 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.3	RDKit
Exact Mass	146.07316494 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Other compounds with formula C10H10O.