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Z-dehydroalanine methyl ester

Z-dehydroalanine methyl ester - CAS 21149-17-7

Catalog:	BB054110
Product Name:	Z-dehydroalanine methyl ester
CAS:	21149-17-7
Synonyms:	Z-Dehydro-Ala-OMe; N-Cbz-Dehydroalanine methyl ester; Z-Dha-OMe

Technical Data

Computed Properties

IUPAC Name:	methyl 2-(phenylmethoxycarbonylamino)prop-2-enoate
Molecular Weight:	235.24
Molecular Formula:	C12H13NO4
Canonical SMILES:	COC(=O)C(=C)NC(=O)OCC1=CC=CC=C1
InChI:	InChI=1S/C12H13NO4/c1-9(11(14)16-2)13-12(15)17-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,13,15)
InChI Key:	STFUIEDYPRMRNN-UHFFFAOYSA-N
Purity:	≥ 99% (HPLC)
Appearance:	White solid
Storage:	Store at 2-8°C

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Related Functional Groups

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[1010869-14-3]
ethyl 4-((3-(2-hydroxy-4-methoxyphenyl)-1H-pyrazol-4-yl)oxy)benzoate

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Oxygen Compounds

[544-62-7]
Batyl alcohol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene

Complexity:	295
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.0844579
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	235.0844579
Rotatable Bond Count:	6
Topological Polar Surface Area:	64.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2