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13730-52-4

13730-52-4 | Heptanoic acid, 5-hydroxy-

CAS No: 13730-52-4 Catalog No: AG00132S MDL No:

Product Description

Catalog Number:
AG00132S
Chemical Name:
Heptanoic acid, 5-hydroxy-
CAS Number:
13730-52-4
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
IUPAC Name:
5-hydroxyheptanoic acid
InChI:
InChI=1S/C7H14O3/c1-2-6(8)4-3-5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)
InChI Key:
ICKVZOWXZYBERI-UHFFFAOYSA-N
SMILES:
CCC(CCCC(=O)O)O

Properties

Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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