CAS
91101-21-2 Purity
---
91101-21-2 Purity
---
Inquiry Basket
5-Aminoisochroman-1-one
CAS
911034-58-7
Catalog Number
ACM911034587
Category
Other Products
Molecular Weight
163.17
Molecular Formula
C9H9NO2
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
5-aminoisochroman-1-one, SCHEMBL4141000, AMUHXYUXPWMUHU-UHFFFAOYSA-N, ZINC95933099, AKOS006284264, KB-196701, 911034-58-7
IUPAC Name
5-amino-3,4-dihydroisochromen-1-one
Canonical SMILES
C1COC(=O)C2=C1C(=CC=C2)N
InChI Key
AMUHXYUXPWMUHU-UHFFFAOYSA-N
Exact Mass
163.06300
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 5-Aminoisochroman-1-one?
The molecular formula of 5-Aminoisochroman-1-one is C9H9NO2.
What is the molecular weight of 5-Aminoisochroman-1-one?
The molecular weight of 5-Aminoisochroman-1-one is 163.17 g/mol.
What is the IUPAC name of 5-Aminoisochroman-1-one?
The IUPAC name of 5-Aminoisochroman-1-one is 5-amino-3,4-dihydroisochromen-1-one.
What is the InChI of 5-Aminoisochroman-1-one?
The InChI of 5-Aminoisochroman-1-one is InChI=1S/C9H9NO2/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-3H,4-5,10H2.
What is the InChIKey of 5-Aminoisochroman-1-one?
The InChIKey of 5-Aminoisochroman-1-one is AMUHXYUXPWMUHU-UHFFFAOYSA-N.
What is the canonical SMILES of 5-Aminoisochroman-1-one?
The canonical SMILES of 5-Aminoisochroman-1-one is C1COC(=O)C2=C1C(=CC=C2)N.
What is the XLogP3-AA value of 5-Aminoisochroman-1-one?
The XLogP3-AA value of 5-Aminoisochroman-1-one is 1.1.
How many hydrogen bond donor counts does 5-Aminoisochroman-1-one have?
5-Aminoisochroman-1-one has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 5-Aminoisochroman-1-one have?
5-Aminoisochroman-1-one has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does 5-Aminoisochroman-1-one have?
5-Aminoisochroman-1-one has 0 rotatable bond counts.
Recommended Products
![2,5-Dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[[3-[(phenylamino)sulphonyl]phenyl]azo]-1H-pyrazol-1-yl]benzenesulphonic acid](https://resource.alfa-chemistry.com/structure/91101-21-2.gif)
