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925-57-5 | 4-Hydroxybutyric Acid Methyl Ester
CAS No: 925-57-5 Catalog No: AG003RVO MDL No:MFCD12025144
Product Description
Catalog Number:
AG003RVO
Chemical Name:
4-Hydroxybutyric Acid Methyl Ester
CAS Number:
925-57-5
Molecular Formula:
C5H10O3
Molecular Weight:
118.1311
MDL Number:
MFCD12025144
IUPAC Name:
methyl 4-hydroxybutanoate
InChI:
InChI=1S/C5H10O3/c1-8-5(7)3-2-4-6/h6H,2-4H2,1H3
InChI Key:
JUYVXCGKMCYNBN-UHFFFAOYSA-N
SMILES:
COC(=O)CCCO
Properties
Complexity:
70.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
118.132g/mol
Monoisotopic Mass:
118.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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