5-Norbornene-2-Carboxylic Acid

CAS: 120-74-1 | C8H10O2

2D Structure

Loading 3D structure...

CAS Registry Number

120-74-1

SMILES

O=C(O)C1CC2C=CC1C2

InChI Key

FYGUSUBEMUKACF-UHFFFAOYSA-N

InChI

InChI=1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,9,10)

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	138.17 g/mol	CAS Common Chemistry
	138.16599999999997 g/mol	RDKit
	138.166 g/mol	RDKit
Density	1.12 g/cm³	CAS Common Chemistry
	1.12 g/cm3 @ 42 °C	CAS Common Chemistry
Canonical SMILES	O=C(O)C1CC2C=CC1C2	CAS Common Chemistry
InChI	InChI=1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,9,10)	CAS Common Chemistry
InChI Key	InChIKey=FYGUSUBEMUKACF-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	32.5-35 °C	CAS Common Chemistry
Name	5-Norbornene-2-carboxylic acid	CAS Common Chemistry
Heavy Atom Count	10	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	1	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	37.3 Å²	RDKit
LogP	1.2832000000000001	RDKit
	1.2832	RDKit
Molar Refractivity	36.479800000000004 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.625	RDKit
	0.62	chempirical lib
Exact Mass	138.06807956 g/mol	RDKit
Boiling Point	132-134 °C @ 22 Torr	CAS Common Chemistry

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 C8H10O2.