z,z-Dienestrol-d6

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CAS
91297-99-3
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Purity
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Catalog Number

ACM91297993

Product Name

z,z-Dienestrol-d6

Structure

CAS

91297-99-3

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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