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10076-48-9 | Propanoic acid, 2,2-dimethoxy-, methyl ester
CAS No: 10076-48-9 Catalog No: AG0002UN MDL No:MFCD00048066
Product Description
Catalog Number:
AG0002UN
Chemical Name:
Propanoic acid, 2,2-dimethoxy-, methyl ester
CAS Number:
10076-48-9
Molecular Formula:
C6H12O4
Molecular Weight:
148.1571
MDL Number:
MFCD00048066
IUPAC Name:
methyl 2,2-dimethoxypropanoate
InChI:
InChI=1S/C6H12O4/c1-6(9-3,10-4)5(7)8-2/h1-4H3
InChI Key:
KHQQDBIXHUJARJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(OC)(OC)C
EC Number:
233-211-3
NSC Number:
159637
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.158g/mol
Monoisotopic Mass:
148.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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