CAS
956-08-1 Purity
96%
956-08-1 Purity
96%
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dimethyl 2-ureidoterephthalate
CAS
956100-56-4
Catalog Number
ACM956100564
Category
Other Products
Molecular Weight
252.223380 [g/mol]
Molecular Formula
C11H12N2O5
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Specification
Synonyms
956100-56-4, SureCN558695, dimethyl 2-ureidoterephthalate, SBB068716, ZINC32914686, AKOS015917539, dimethyl 2-ureidobenzene-1,4-dicarboxylate, FT-0653407, A845350, S01-0033, dimethyl 2-(aminocarbonylamino)benzene-1,4-dicarboxylate, 2-(carbamoylamino)benzene-1,4-dicarboxylic acid dimethyl ester
IUPAC Name
dimethyl 2-(carbamoylamino)benzene-1,4-dicarboxylate
Canonical SMILES
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)N
InChI Key
CLKQRKIWGOYDPK-UHFFFAOYSA-N
Exact Mass
252.07500
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of dimethyl 2-ureidoterephthalate?
The molecular formula of dimethyl 2-ureidoterephthalate is C11H12N2O5.
When was dimethyl 2-ureidoterephthalate created?
Dimethyl 2-ureidoterephthalate was created on 2009-05-30.
What is the molecular weight of dimethyl 2-ureidoterephthalate?
The molecular weight of dimethyl 2-ureidoterephthalate is 252.22 g/mol.
What is the IUPAC name of dimethyl 2-ureidoterephthalate?
The IUPAC name of dimethyl 2-ureidoterephthalate is dimethyl 2-(carbamoylamino)benzene-1,4-dicarboxylate.
What is the InChI of dimethyl 2-ureidoterephthalate?
The InChI of dimethyl 2-ureidoterephthalate is InChI=1S/C11H12N2O5/c1-17-9(14)6-3-4-7(10(15)18-2)8(5-6)13-11(12)16/h3-5H,1-2H3,(H3,12,13,16).
What is the InChIKey of dimethyl 2-ureidoterephthalate?
The InChIKey of dimethyl 2-ureidoterephthalate is CLKQRKIWGOYDPK-UHFFFAOYSA-N.
How many hydrogen bond donor counts does dimethyl 2-ureidoterephthalate have?
Dimethyl 2-ureidoterephthalate has 2 hydrogen bond donor counts.
What is the topological polar surface area of dimethyl 2-ureidoterephthalate?
The topological polar surface area of dimethyl 2-ureidoterephthalate is 108 Å^2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many rotatable bond counts does dimethyl 2-ureidoterephthalate have?
Dimethyl 2-ureidoterephthalate has 5 rotatable bond counts.
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