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181313-40-6 | 1-Cyclopentene-1-carboxylic acid, 2-(chlorocarbonyl)-
CAS No: 181313-40-6 Catalog No: AG0022TK MDL No:
Product Description
Catalog Number:
AG0022TK
Chemical Name:
1-Cyclopentene-1-carboxylic acid, 2-(chlorocarbonyl)-
CAS Number:
181313-40-6
Molecular Formula:
C7H7ClO3
Molecular Weight:
174.5817
IUPAC Name:
2-carbonochloridoylcyclopentene-1-carboxylic acid
InChI:
InChI=1S/C7H7ClO3/c8-6(9)4-2-1-3-5(4)7(10)11/h1-3H2,(H,10,11)
InChI Key:
BVSIZYAZZWKTNQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1=C(CCC1)C(=O)Cl
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.008g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.58g/mol
Monoisotopic Mass:
174.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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