CAS
99584-04-0 Purity
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99584-04-0 Purity
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6-amino-3-methyl-1,3-benzoxazol-2(3H)-one
CAS
99584-10-8
Catalog Number
ACM99584108
Category
Other Products
Molecular Weight
164.16
Molecular Formula
C8H8N2O2
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- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
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Specification
Synonyms
6-amino-3-methyl-1,3-benzoxazol-2(3H)-one
IUPAC Name
6-amino-3-methyl-1,3-benzoxazol-2-one
Canonical SMILES
CN1C2=C(C=C(C=C2)N)OC1=O
InChI Key
FPNLXQSOWBNXCN-UHFFFAOYSA-N
Exact Mass
164.05900
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 6-amino-3-methyl-1,3-benzoxazol-2(3H)-one?
The molecular formula is C8H8N2O2.
What is the molecular weight of 6-amino-3-methyl-1,3-benzoxazol-2(3H)-one?
The molecular weight is 164.16 g/mol.
What is the IUPAC name of 6-amino-3-methyl-1,3-benzoxazol-2(3H)-one?
The IUPAC name is 6-amino-3-methyl-1,3-benzoxazol-2-one.
What is the InChI of 6-amino-3-methyl-1,3-benzoxazol-2(3H)-one?
The InChI is InChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3.
What is the InChIKey of 6-amino-3-methyl-1,3-benzoxazol-2(3H)-one?
The InChIKey is FPNLXQSOWBNXCN-UHFFFAOYSA-N.
What is the canonical SMILES of 6-amino-3-methyl-1,3-benzoxazol-2(3H)-one?
The canonical SMILES is CN1C2=C(C=C(C=C2)N)OC1=O.
What is the CAS number of 6-amino-3-methyl-1,3-benzoxazol-2(3H)-one?
The CAS number is 99584-10-8.
What is the European Community (EC) number of 6-amino-3-methyl-1,3-benzoxazol-2(3H)-one?
The European Community (EC) number is 824-556-6.
Is 6-amino-3-methyl-1,3-benzoxazol-2(3H)-one a canonicalized compound?
Yes, it is a canonicalized compound.
Upstream Synthesis Route 1
- 101084-61-1
- 99584-10-8
Reference: [1]Location in patent: experimental part
Guelkok, Yildiz; Bicer, Tuba; Onurdag, Fatma Kaynak; Oezgen, Selda; Sahin, Mustafa Fethi; Dogruer, Deniz Songuel
[Turkish Journal of Chemistry, 2012, vol. 36, # 2, p. 279 - 291]
Upstream Synthesis Route 2
- 4694-91-1
- 99584-10-8
Reference: [1]Abdelaal; Kong; Bauer
[Journal of Heterocyclic Chemistry, 1992, vol. 29, # 5, p. 1069 - 1076]
Upstream Synthesis Route 3
- 121-88-0
- 99584-10-8
Reference: [1]Abdelaal; Kong; Bauer
[Journal of Heterocyclic Chemistry, 1992, vol. 29, # 5, p. 1069 - 1076]
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