1-(diethylcarbamoyl)methyl 4-methyl (2E)-but-2-enedioate

1-(diethylcarbamoyl)methyl 4-methyl (2E)-but-2-enedioate

CAS: 1208229-58-6

Formula: C11H17NO5

SMILES: CCN(CC)C(=O)COC(=O)C=CC(=O)OC

IUPAC: 1-(diethylcarbamoyl)methyl 4-methyl (2E)-but-2-enedioate

InChI: InChI=1S/C11H17NO5/c1-4-12(5-2)9(13)8-17-11(15)7-6-10(14)16-3/h6-7H,4-5,8H2,1-3H3/b7-6+

Composition: C (54.31%), H (7.04%), N (5.76%), O (32.88%)

Molar Mass: 243.259

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	243.110672651
Formal Charge	0
FSP3	0.55
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AKUGRXRLHCCENI-VOTSOKGWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.34
Topological Polar Surface Area	72.91
Polarizability	23.59
Ring Count	0
Rotatable Bond Count	8

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99.77%	<7 Days	1208229-58-6		$187.00-$1,496.00$187.00$299.20$626.45$981.75$1,496.00

Molnova Chemicals

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98%	<4 Days	1208229-58-6		$178.11-$2,080.70$178.11$248.43$551.90$788.86$1,388.15$2,080.70