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890097-99-1 | 8-CHLORO-2-OXOOCTANOIC ACID
CAS No: 890097-99-1 Catalog No: AG0043NN MDL No:
Product Description
Catalog Number:
AG0043NN
Chemical Name:
8-CHLORO-2-OXOOCTANOIC ACID
CAS Number:
890097-99-1
Molecular Formula:
C8H13ClO3
Molecular Weight:
192.6400
IUPAC Name:
8-chloro-2-oxooctanoic acid
InChI:
InChI=1S/C8H13ClO3/c9-6-4-2-1-3-5-7(10)8(11)12/h1-6H2,(H,11,12)
InChI Key:
PXSUXATXOJIUKU-UHFFFAOYSA-N
SMILES:
ClCCCCCCC(=O)C(=O)O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.639g/mol
Monoisotopic Mass:
192.055g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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