CAS
912940-89-7 Purity
95%
912940-89-7 Purity
95%
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z,z-Dienestrol-d6
CAS
91297-99-3
Catalog Number
ACM91297993
Category
Other Products
Molecular Weight
272.37
Molecular Formula
C18H12D6O2
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Specification
Synonyms
3,4-Bis(4-hydroxyphenyl)-2,4-hexadiene-d6; β-Dienestrol-d6; 4,4'-[(1Z,2Z)-1,2-Diethylidene-1,2-ethanediyl]bisphenol-d6;
IUPAC Name
2,6-dideuterio-4-[(2Z,4Z)-2,5-dideuterio-4-(3,5-dideuterio-4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
InChI Key
NFDFQCUYFHCNBW-QNQXKPHDSA-N
Exact Mass
266.13100
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of z, z-Dienestrol-d6?
The molecular formula of z, z-Dienestrol-d6 is C18H18O2.
What is the molecular weight of z, z-Dienestrol-d6?
The molecular weight of z, z-Dienestrol-d6 is 272.4 g/mol.
What is the IUPAC name of z, z-Dienestrol-d6?
The IUPAC name of z, z-Dienestrol-d6 is 2,6-dideuterio-4-[(2Z,4Z)-2,5-dideuterio-4-(3,5-dideuterio-4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol.
What is the InChI of z, z-Dienestrol-d6?
The InChI of z, z-Dienestrol-d6 is InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3-,18-4-/i3D,4D,9D,10D,11D,12D.
What is the InChIKey of z, z-Dienestrol-d6?
The InChIKey of z, z-Dienestrol-d6 is NFDFQCUYFHCNBW-QNQXKPHDSA-N.
What is the Canonical SMILES of z, z-Dienestrol-d6?
The Canonical SMILES of z, z-Dienestrol-d6 is CC=C(C1=CC=C(C=C1)O)C(=CC)C2=CC=C(C=C2)O.
What is the isomeric SMILES of z, z-Dienestrol-d6?
The isomeric SMILES of z, z-Dienestrol-d6 is [2H]C1=CC(=CC(=C1O)[2H])/C(=C(/C)\[2H])/C(=C(\C)/[2H])/C2=CC(=C(C(=C2)[2H])O)[2H].
What is the XLogP3-AA value of z, z-Dienestrol-d6?
The XLogP3-AA value of z, z-Dienestrol-d6 is 5.4.
What is the hydrogen bond donor count of z, z-Dienestrol-d6?
The hydrogen bond donor count of z, z-Dienestrol-d6 is 2.
What is the hydrogen bond acceptor count of z, z-Dienestrol-d6?
The hydrogen bond acceptor count of z, z-Dienestrol-d6 is 2.
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