CAS
953408-88-3 Purity
96%
953408-88-3 Purity
96%
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4,7-Methanoisobenzofuran-1(3H)-one,3a,4,7,7a-tetrahydro-, (3aR,4R,7S,7aS)-rel-
CAS
95340-93-5
Catalog Number
ACM95340935
Category
Other Products
Molecular Weight
150.1745
Molecular Formula
C9H10 O2
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Specification
Synonyms
3-HYDROXYMETHYL-5-NORBORNENE-2-CARBOXYLIC ACID LACTON; (3aR,4R,7S,7aS)-rel-3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1(3H)-one; (3aS,4S,7R,7aR)-3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1(3H)-one;
IUPAC Name
(3aR,4S,7R,7aS)-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-on...
Canonical SMILES
C1C2C=CC1C3C2COC3=O
InChI Key
WOJWXGGCIZZKFQ-VGRMVHKJSA-N
Exact Mass
150.06800
What is the molecular formula of 4,7-Methanoisobenzofuran-1(3H)-one?
The molecular formula is C9H10O2.
What is the molecular weight of 4,7-Methanoisobenzofuran-1(3H)-one?
The molecular weight is 150.17 g/mol.
What is the IUPAC Name of 4,7-Methanoisobenzofuran-1(3H)-one?
The IUPAC Name is 4-oxatricyclo[5.2.1.0 2,6 ]dec-8-en-3-one.
What is the InChI of 4,7-Methanoisobenzofuran-1(3H)-one?
The InChI is InChI=1S/C9H10O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5-8H,3-4H2.
How many hydrogen bond donor counts does 4,7-Methanoisobenzofuran-1(3H)-one have?
4,7-Methanoisobenzofuran-1(3H)-one has 0 hydrogen bond donor counts.
What is the Exact Mass of 4,7-Methanoisobenzofuran-1(3H)-one?
The Exact Mass is 150.068079557 g/mol.
How many Heavy Atom Counts does 4,7-Methanoisobenzofuran-1(3H)-one have?
4,7-Methanoisobenzofuran-1(3H)-one has 11 heavy atom counts.
Is 4,7-Methanoisobenzofuran-1(3H)-one's Compound Canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of 4,7-Methanoisobenzofuran-1(3H)-one?
The XLogP3-AA value is 1.2.
How many Undefined Atom Stereocenter Counts does 4,7-Methanoisobenzofuran-1(3H)-one have?
4,7-Methanoisobenzofuran-1(3H)-one has 4 undefined atom stereocenter counts.
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