CAS
90086-89-8 Purity
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90086-89-8 Purity
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5-Isopropyl-3-methylisoxazole-4-carboxylic acid
CAS
90087-36-8
Catalog Number
ACM90087368
Category
Other Products
Molecular Weight
168.169900 [g/mol]
Molecular Formula
C8H11NO3
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Specification
Synonyms
ZINC04206048, CID7128937, 90087-36-8
IUPAC Name
3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
Canonical SMILES
CC1=NOC(=C1C(=O)O)C(C)C
InChI Key
SOKXYOBQBBFXOE-UHFFFAOYSA-M
Boiling Point
295.5ºC at 760mmHg
Flash Point
132.5ºC
Density
1.172g/cm³
Exact Mass
169.07400
H-Bond Acceptor
4
H-Bond Donor
0
Upstream Synthesis Route 1
- 79322-87-5
- 90087-36-8
Reference: [1]Takahashi,K.; Miyashita,S.
[Chemical and pharmaceutical bulletin, 1962, vol. 10, # 7, p. 603 - 607]
Upstream Synthesis Route 2
- 91004-89-6
- 90087-36-8
Reference: [1]Takahashi,K.; Miyashita,S.
[Chemical and pharmaceutical bulletin, 1962, vol. 10, # 7, p. 603 - 607]
Upstream Synthesis Route 3
- 69083-54-1
- 74-88-4
- 90087-36-8
Reference: [1]Natale, N. R.; McKenna, John I.; Niou, Chorng-Shyr; Borth, Mark; Hope, Hakon
[Journal of Organic Chemistry, 1985, vol. 50, # 26, p. 5660 - 5666]
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