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20514-40-3 | 2,4-Hexadienedioic acid, 2,5-dimethyl-, (2Z,4Z)-
CAS No: 20514-40-3 Catalog No: AG0029WB MDL No:
Product Description
Catalog Number:
AG0029WB
Chemical Name:
2,4-Hexadienedioic acid, 2,5-dimethyl-, (2Z,4Z)-
CAS Number:
20514-40-3
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
IUPAC Name:
(2Z,4Z)-2,5-dimethylhexa-2,4-dienedioic acid
InChI:
InChI=1S/C8H10O4/c1-5(7(9)10)3-4-6(2)8(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)/b5-3-,6-4-
InChI Key:
HVMNFKUBOVSQCO-GLIMQPGKSA-N
SMILES:
C/C(=C/C=C(\C(=O)O)/C)/C(=O)O
NSC Number:
115410
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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