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70714-78-2 | adipic acid; 2-ethylhexan-1-ol; glutaric acid; 8-methylnonan-1-ol; succinic acid
CAS No: 70714-78-2 Catalog No: AG005GR3 MDL No:
Product Description
Catalog Number:
AG005GR3
Chemical Name:
adipic acid; 2-ethylhexan-1-ol; glutaric acid; 8-methylnonan-1-ol; succinic acid
CAS Number:
70714-78-2
Molecular Formula:
C33H64O14
Molecular Weight:
684.8529
IUPAC Name:
2-[[4-[benzyl(methyl)amino]-2-methylphenyl]methylidene]propanedinitrile
InChI:
InChI=1S/C19H17N3/c1-15-10-19(9-8-18(15)11-17(12-20)13-21)22(2)14-16-6-4-3-5-7-16/h3-11H,14H2,1-2H3
InChI Key:
ZYRPCIMUZREFPS-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)O.OC(=O)CCCC(=O)O.OC(=O)CCCCC(=O)O.CCCCC(CO)CC.OCCCCCCCC(C)C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.366g/mol
Monoisotopic Mass:
287.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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