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5-Norbornene-2-endo-acetic acid

CAS
825-71-8
Catalog Number
ACM-MO-825718
Category
Alkenes; Cyclic Olefin Monomers
Molecular Weight
152.19 g/mol
Molecular Formula
C9H12O2

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Specification

Synonyms
2-(2-bicyclo[2.2.1]hept-5-enyl)acetic acid
IUPAC Name
2-(2-bicyclo[2.2.1]hept-5-enyl)acetic acid
Canonical SMILES
C1C2CC(C1C=C2)CC(=O)O
InChI
1S/C9H12O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2,(H,10,11)/t6-,7+,8?/m1/s1
InChI Key
HRVGJQMCNYJEHM-KVARREAHSA-N
Boiling Point
137-139 °C/Press: 12 Torr
Storage
room temp
Complexity
208
Covalently-Bonded Unit Count
1
Exact Mass
152.08373g/mol
Formal Charge
0
Hazard Statements
H226-H304-H315-H318-H334-H335
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
11
Monoisotopic Mass
152.08373g/mol
Packaging
1 g in glass bottle
Quality Level
100
Refractive Index
1.495
RIDADR
UN 3295C 3 / PGIII
Rotatable Bond Count
2
Specific Gravity
1.124
Symbol
GHS02
XLogP3
1.6
What is the molecular formula of 5-Norbornene-2-endo-acetic acid?

The molecular formula is C9H12O2.

What is the IUPAC name of 5-Norbornene-2-endo-acetic acid?

The IUPAC name is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid.

What is the InChI of 5-Norbornene-2-endo-acetic acid?

The InChI is InChI=1S/C9H12O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2,(H,10,11)/t6-,7+,8+/m0/s1.

What is the InChIKey of 5-Norbornene-2-endo-acetic acid?

The InChIKey is HRVGJQMCNYJEHM-XLPZGREQSA-N.

What is the canonical SMILES of 5-Norbornene-2-endo-acetic acid?

The canonical SMILES is C1C2CC(C1C=C2)CC(=O)O.

What is the isomeric SMILES of 5-Norbornene-2-endo-acetic acid?

The isomeric SMILES is C1[C@H]2C[C@@H]([C@@H]1C=C2)CC(=O)O.

What is the molecular weight of 5-Norbornene-2-endo-acetic acid?

The molecular weight is 152.19 g/mol.

What is the XLogP3-AA value of 5-Norbornene-2-endo-acetic acid?

The XLogP3-AA value is 1.6.

How many hydrogen bond donor counts does 5-Norbornene-2-endo-acetic acid have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 5-Norbornene-2-endo-acetic acid have?

It has 2 hydrogen bond acceptor counts.

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