Home Other Building Blocks 3-hydroxy-3-methylpent-4-enoic acid

3-hydroxy-3-methylpent-4-enoic acid

CAS No.:
38004-74-9
Catalog Number:
AG01BEH9
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
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Product Description
Catalog Number:
AG01BEH9
Chemical Name:
3-hydroxy-3-methylpent-4-enoic acid
CAS Number:
38004-74-9
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD19228600
IUPAC Name:
3-hydroxy-3-methylpent-4-enoic acid
InChI:
InChI=1S/C6H10O3/c1-3-6(2,9)4-5(7)8/h3,9H,1,4H2,2H3,(H,7,8)
InChI Key:
JZWQNRBDWROLMD-UHFFFAOYSA-N
SMILES:
CC(C=C)(CC(=O)O)O
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties