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188568-04-9 | 4-Pentenoic acid, 3-(2,2-dimethoxyethyl)-4-methyl-, (3R)-
CAS No: 188568-04-9 Catalog No: AG002GZM MDL No:
Product Description
Catalog Number:
AG002GZM
Chemical Name:
4-Pentenoic acid, 3-(2,2-dimethoxyethyl)-4-methyl-, (3R)-
CAS Number:
188568-04-9
Molecular Formula:
C10H18O4
Molecular Weight:
202.2475
IUPAC Name:
(3R)-3-(2,2-dimethoxyethyl)-4-methylpent-4-enoic acid
InChI:
InChI=1S/C10H18O4/c1-7(2)8(5-9(11)12)6-10(13-3)14-4/h8,10H,1,5-6H2,2-4H3,(H,11,12)/t8-/m0/s1
InChI Key:
SDDZKRUSDXISBS-QMMMGPOBSA-N
SMILES:
COC(C[C@@H](C(=C)C)CC(=O)O)OC
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
202.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.25g/mol
Monoisotopic Mass:
202.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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