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820247-03-8 | Butanoic acid, 4-[2-hydroxy-1-(hydroxymethyl)ethoxy]-, methyl ester
CAS No: 820247-03-8 Catalog No: AG004Y5U MDL No:
Product Description
Catalog Number:
AG004Y5U
Chemical Name:
Butanoic acid, 4-[2-hydroxy-1-(hydroxymethyl)ethoxy]-, methyl ester
CAS Number:
820247-03-8
Molecular Formula:
C8H16O5
Molecular Weight:
192.2096
IUPAC Name:
methyl 4-(1,3-dihydroxypropan-2-yloxy)butanoate
InChI:
InChI=1S/C8H16O5/c1-12-8(11)3-2-4-13-7(5-9)6-10/h7,9-10H,2-6H2,1H3
InChI Key:
WOSQFSKPNBVTKR-UHFFFAOYSA-N
SMILES:
OCC(OCCCC(=O)OC)CO
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.211g/mol
Monoisotopic Mass:
192.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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