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88708-42-3 | Piperazine, 1-(2-ethoxyethyl)-, (2Z)-2-butenedioate (1:2)
CAS No: 88708-42-3 Catalog No: AG0046GB MDL No:
Product Description
Catalog Number:
AG0046GB
Chemical Name:
Piperazine, 1-(2-ethoxyethyl)-, (2Z)-2-butenedioate (1:2)
CAS Number:
88708-42-3
Molecular Formula:
C16H26N2O9
Molecular Weight:
390.3856
IUPAC Name:
but-2-enedioic acid;1-(2-ethoxyethyl)piperazine
InChI:
InChI=1S/C8H18N2O.2C4H4O4/c1-2-11-8-7-10-5-3-9-4-6-10;2*5-3(6)1-2-4(7)8/h9H,2-8H2,1H3;2*1-2H,(H,5,6)(H,7,8)
InChI Key:
YNIHRPHCLDOESU-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\C(=O)O.OC(=O)/C=C\C(=O)O.CCOCCN1CCNCC1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.164g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
390.389g/mol
Monoisotopic Mass:
390.164g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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