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7424-91-1 | Methyl 3,3-dimethoxypropanoate
CAS No: 7424-91-1 Catalog No: AG0036JH MDL No:MFCD00010650
Product Description
Catalog Number:
AG0036JH
Chemical Name:
Methyl 3,3-dimethoxypropanoate
CAS Number:
7424-91-1
Molecular Formula:
C6H12O4
Molecular Weight:
148.1571
MDL Number:
MFCD00010650
IUPAC Name:
methyl 3,3-dimethoxypropanoate
InChI:
InChI=1S/C6H12O4/c1-8-5(7)4-6(9-2)10-3/h6H,4H2,1-3H3
InChI Key:
SMCVPMKCDDNUCQ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(OC)OC
EC Number:
231-055-0
NSC Number:
92715
Properties
Complexity:
97.9
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:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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