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14272-47-0 | 3-Ethylheptanoic Acid
CAS No: 14272-47-0 Catalog No: AG00364X MDL No:MFCD00060838
Product Description
Catalog Number:
AG00364X
Chemical Name:
3-Ethylheptanoic Acid
CAS Number:
14272-47-0
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD00060838
IUPAC Name:
3-ethylheptanoic acid
InChI:
InChI=1S/C9H18O2/c1-3-5-6-8(4-2)7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChI Key:
MCLMZMISZCYBBG-UHFFFAOYSA-N
SMILES:
CCCCC(CC(=O)O)CC
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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