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101568-09-6 | 4-Pentenoic acid, 5-chloro-2-(1-methylethyl)-
CAS No: 101568-09-6 Catalog No: AG0004TT MDL No:
Product Description
Catalog Number:
AG0004TT
Chemical Name:
4-Pentenoic acid, 5-chloro-2-(1-methylethyl)-
CAS Number:
101568-09-6
Molecular Formula:
C8H13ClO2
Molecular Weight:
176.6406
IUPAC Name:
5-chloro-2-propan-2-ylpent-4-enoic acid
InChI:
InChI=1S/C8H13ClO2/c1-6(2)7(8(10)11)4-3-5-9/h3,5-7H,4H2,1-2H3,(H,10,11)
InChI Key:
NOPVMHYFCPFLOH-UHFFFAOYSA-N
SMILES:
ClC=CCC(C(=O)O)C(C)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.06g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.64g/mol
Monoisotopic Mass:
176.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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