Home Other Building Blocks 2-hydroxy-2-pentylbutanedioic acid

2-hydroxy-2-pentylbutanedioic acid

CAS No.:
1795212-80-4
Catalog Number:
AG01CA85
Molecular Formula:
C9H16O5
Molecular Weight:
204.2203
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Product Description
Catalog Number:
AG01CA85
Chemical Name:
2-hydroxy-2-pentylbutanedioic acid
CAS Number:
1795212-80-4
Molecular Formula:
C9H16O5
Molecular Weight:
204.2203
MDL Number:
MFCD31457037
IUPAC Name:
2-hydroxy-2-pentylbutanedioic acid
InChI:
InChI=1S/C9H16O5/c1-2-3-4-5-9(14,8(12)13)6-7(10)11/h14H,2-6H2,1H3,(H,10,11)(H,12,13)
InChI Key:
BFXXUUQTGDXNII-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)O)(CC(=O)O)O
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
204.222g/mol
Monoisotopic Mass:
204.1g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties