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148029-00-9 | Cyclohexanecarboxylic acid, 2-acetyl-
CAS No: 148029-00-9 Catalog No: AG001FD5 MDL No:MFCD20657104
Product Description
Catalog Number:
AG001FD5
Chemical Name:
Cyclohexanecarboxylic acid, 2-acetyl-
CAS Number:
148029-00-9
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD20657104
IUPAC Name:
2-acetylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C9H14O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h7-8H,2-5H2,1H3,(H,11,12)
InChI Key:
TUKYIYSUAUIYSI-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCC1C(=O)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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