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188177-96-0 | 3-Cyclopentene-1-carboxylic acid, 1-(acetylamino)-, methyl ester
CAS No: 188177-96-0 Catalog No: AG002GQM MDL No:
Product Description
Catalog Number:
AG002GQM
Chemical Name:
3-Cyclopentene-1-carboxylic acid, 1-(acetylamino)-, methyl ester
CAS Number:
188177-96-0
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
methyl 1-acetamidocyclopent-3-ene-1-carboxylate
InChI:
InChI=1S/C9H13NO3/c1-7(11)10-9(8(12)13-2)5-3-4-6-9/h3-4H,5-6H2,1-2H3,(H,10,11)
InChI Key:
LIQRVUXARZINIR-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC=CC1)NC(=O)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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