CAS
96441-14-4 Purity
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96441-14-4 Purity
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![Bis[3(or 5)-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium]sulfate](https://resource.alfa-chemistry.com/structure/96446-12-7.gif)
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1,3-Cyclopentanedicarboxylicacid,1-methyl ester,(1R,3S)-
CAS
96443-42-4
Catalog Number
ACM96443424
Category
Other Products
Molecular Weight
172.18
Molecular Formula
C8H12O4
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Specification
Synonyms
(1S,3R)-CIS-3-CARBOMETHOXY CYCLOPENTANE-1-CARBOXYLIC ACID
IUPAC Name
(1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid
Canonical SMILES
COC(=O)C1CCC(C1)C(=O)O
InChI Key
FVUHGTQDOMGZOT-NTSWFWBYSA-N
Exact Mass
172.07400
H-Bond Acceptor
4
H-Bond Donor
1
Safety Description
26-36/37/39
What is the molecular formula of 1,3-Cyclopentanedicarboxylic acid, 1-methyl ester, (1R,3S)?
The molecular formula is C8H12O4.
What is the molecular weight of 1,3-Cyclopentanedicarboxylic acid, 1-methyl ester, (1R,3S)?
The molecular weight is 172.18 g/mol.
What are some synonyms for 1,3-Cyclopentanedicarboxylic acid, 1-methyl ester, (1R,3S)?
Some synonyms include (1S,3R)-3-(Methoxycarbonyl)cyclopentanecarboxylic Acid and (1S,3R)-cis-3-Carbomethoxy cyclopentane-1-carboxylic acid.
What is the InChIKey for 1,3-Cyclopentanedicarboxylic acid, 1-methyl ester, (1R,3S)?
The InChIKey is FVUHGTQDOMGZOT-NTSWFWBYSA-N.
What is the XLogP3-AA value for 1,3-Cyclopentanedicarboxylic acid, 1-methyl ester, (1R,3S)?
The XLogP3-AA value is 0.5.
How many hydrogen bond donor counts does 1,3-Cyclopentanedicarboxylic acid, 1-methyl ester, (1R,3S) have?
It has 1 hydrogen bond donor count.
What is the exact mass of 1,3-Cyclopentanedicarboxylic acid, 1-methyl ester, (1R,3S)?
The exact mass is 172.07355886 g/mol.
How many defined atom stereocenter counts does 1,3-Cyclopentanedicarboxylic acid, 1-methyl ester, (1R,3S) have?
It has 2 defined atom stereocenter counts.
Is 1,3-Cyclopentanedicarboxylic acid, 1-methyl ester, (1R,3S) considered as a canonicalized compound?
Yes, it is considered as a canonicalized compound.
When was 1,3-Cyclopentanedicarboxylic acid, 1-methyl ester, (1R,3S) last modified?
It was last modified on December 30, 2023.
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