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114805-50-4 | 3-Cyclopentene-1-carbonyl chloride, 1,2,2-trimethyl-
CAS No: 114805-50-4 Catalog No: AG000F9Z MDL No:MFCD13173822
Product Description
Catalog Number:
AG000F9Z
Chemical Name:
3-Cyclopentene-1-carbonyl chloride, 1,2,2-trimethyl-
CAS Number:
114805-50-4
Molecular Formula:
C9H13ClO
Molecular Weight:
172.6519
MDL Number:
MFCD13173822
IUPAC Name:
1,2,2-trimethylcyclopent-3-ene-1-carbonyl chloride
InChI:
InChI=1S/C9H13ClO/c1-8(2)5-4-6-9(8,3)7(10)11/h4-5H,6H2,1-3H3
InChI Key:
ZHZCGPLYLDTQCA-UHFFFAOYSA-N
SMILES:
ClC(=O)C1(C)CC=CC1(C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.652g/mol
Monoisotopic Mass:
172.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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