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20291-40-1 | Heptanedioic acid, 1-methyl ester
CAS No: 20291-40-1 Catalog No: AG0028J0 MDL No:MFCD00040445
Product Description
Catalog Number:
AG0028J0
Chemical Name:
Heptanedioic acid, 1-methyl ester
CAS Number:
20291-40-1
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD00040445
IUPAC Name:
7-methoxy-7-oxoheptanoic acid
InChI:
InChI=1S/C8H14O4/c1-12-8(11)6-4-2-3-5-7(9)10/h2-6H2,1H3,(H,9,10)
InChI Key:
YOLQOHRXBGFZED-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCC(=O)O
EC Number:
243-693-7
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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