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19830-09-2 | Heptanedioic acid, 4-acetyl-4-methyl-
CAS No: 19830-09-2 Catalog No: AG002BFY MDL No:MFCD00052871
Product Description
Catalog Number:
AG002BFY
Chemical Name:
Heptanedioic acid, 4-acetyl-4-methyl-
CAS Number:
19830-09-2
Molecular Formula:
C10H16O5
Molecular Weight:
216.2310
MDL Number:
MFCD00052871
IUPAC Name:
4-acetyl-4-methylheptanedioic acid
InChI:
InChI=1S/C10H16O5/c1-7(11)10(2,5-3-8(12)13)6-4-9(14)15/h3-6H2,1-2H3,(H,12,13)(H,14,15)
InChI Key:
LYBQMKJABQTTFJ-UHFFFAOYSA-N
SMILES:
CC(=O)C(CCC(=O)O)(CCC(=O)O)C
UNII:
AAV2YTM2MI
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.233g/mol
Monoisotopic Mass:
216.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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