CAS
96733-58-3 Purity
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96733-58-3 Purity
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Hydrazinecarboxylicacid,2-(4-carboxyphenyl)-,1-(1,1-dimethylethyl)ester
CAS
96736-00-4
Catalog Number
ACM96736004
Category
Other Products
Molecular Weight
252.27
Molecular Formula
C12H16N2O4
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- Product Description
- Case Study
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- Synthetic Use
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Specification
Synonyms
BOC-4-HYDRAZINOBENZOIC ACID;BOC-NH-ABZ(4)-OH;4-(2'-N-BOC-HYDRAZINO)BENZOIC ACID;4-(BOC-HYDRAZINO)-BENZOIC ACID;4-(N'-BOC-HYDRAZINO)-BENZOIC ACID;4-(T-BUTOXYCARBONYL-HYDRAZINO)-BENZOIC ACID
IUPAC Name
4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]benzoic acid
SMILES
CC(C)(C)OC(=O)NNC1=CC=C(C=C1)C(=O)O
InChI Key
FRMCTSPNGUPJRR-UHFFFAOYSA-N
Exact Mass
252.11100
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular formula of Hydrazinecarboxylicacid,2-(4-carboxyphenyl)-,1-(1,1-dimethylethyl)ester?
The molecular formula is C12H16N2O4.
When was the PubChem CID 2755984 created?
It was created on 2005-07-19.
What is the molecular weight of Hydrazinecarboxylicacid,2-(4-carboxyphenyl)-,1-(1,1-dimethylethyl)ester?
The molecular weight is 252.27 g/mol.
What is the IUPAC name of Hydrazinecarboxylicacid,2-(4-carboxyphenyl)-,1-(1,1-dimethylethyl)ester?
The IUPAC name is 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]benzoic acid.
What is the InChIKey of Hydrazinecarboxylicacid,2-(4-carboxyphenyl)-,1-(1,1-dimethylethyl)ester?
The InChIKey is FRMCTSPNGUPJRR-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Hydrazinecarboxylicacid,2-(4-carboxyphenyl)-,1-(1,1-dimethylethyl)ester have?
It has 3 hydrogen bond donor counts.
What is the XLogP3-AA value of this compound?
The XLogP3-AA value is 2.3.
What is the topological polar surface area of Hydrazinecarboxylicacid,2-(4-carboxyphenyl)-,1-(1,1-dimethylethyl)ester?
The topological polar surface area is 87.7 Ų.
How many defined atom stereocenter counts does this compound have?
It has 0 defined atom stereocenter counts.
Is Hydrazinecarboxylicacid,2-(4-carboxyphenyl)-,1-(1,1-dimethylethyl)ester a canonicalized compound?
Yes, it is canonicalized.
Upstream Synthesis Route 1
- 24424-99-5
- 619-67-0
- 96736-00-4
Reference: [1] Patent: WO2005/46679, 2005, A1, . Location in patent: Page/Page column 16
Upstream Synthesis Route 2
- 24424-99-5
- 619-67-0
- 96736-00-4
Reference: [1]Patent: US2019/204336,2019,A1 .Location in patent: Paragraph 0187; 0188
Downstream Synthesis Route 1
- 96736-00-4
- 40327-96-6
- 852286-99-8
Reference: [1]Patent: WO2005/46679,2005,A1 .Location in patent: Page/Page column 16-17
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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