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138844-86-7 | 4-Heptene-1,2,7-tricarboxylic acid, (Z)- (9CI)
CAS No: 138844-86-7 Catalog No: AG0019ON MDL No:
Product Description
Catalog Number:
AG0019ON
Chemical Name:
4-Heptene-1,2,7-tricarboxylic acid, (Z)- (9CI)
CAS Number:
138844-86-7
Molecular Formula:
C10H14O6
Molecular Weight:
230.2146
IUPAC Name:
hept-4-ene-1,2,7-tricarboxylic acid
InChI:
InChI=1S/C10H14O6/c11-8(12)5-3-1-2-4-7(10(15)16)6-9(13)14/h1-2,7H,3-6H2,(H,11,12)(H,13,14)(H,15,16)
InChI Key:
LNPHSNYHCWQVEP-UHFFFAOYSA-N
SMILES:
OC(=O)CC/C=C\CC(C(=O)O)CC(=O)O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
230.216g/mol
Monoisotopic Mass:
230.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0
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