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Structure

3-Phenanthrol-d9(major)

CAS
922510-20-1
Catalog Number
ACM922510201
Category
Other Products
Molecular Weight
203.28
Molecular Formula
C14HD9O

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Specification

Synonyms
3-Phenanthrenol-d9; 3-Hydroxyphenanthrene-d9; NSC 30984-d9;
IUPAC Name
1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-ol
Canonical SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)O
InChI Key
NGPOABOEXMDQBT-LOIXRAQWSA-N
Boiling Point
404.508ºC at 760 mmHg
Melting Point
92-94ºC
Flash Point
197.72ºC
Density
1.302g/cm³
Appearance
Off-White to Light Brown Solid
Exact Mass
203.13000
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of 3-Phenanthrol-d9 (major)?

The molecular formula of 3-Phenanthrol-d9 (major) is C14H10O.

What is the molecular weight of 3-Phenanthrol-d9 (major)?

The molecular weight of 3-Phenanthrol-d9 (major) is 203.28 g/mol.

What is the IUPAC name of 3-Phenanthrol-d9 (major)?

The IUPAC name of 3-Phenanthrol-d9 (major) is 1,2,4,5,6,7,8,9,10-nonadeuteriophenanthren-3-ol.

What is the InChI of 3-Phenanthrol-d9 (major)?

The InChI of 3-Phenanthrol-d9 (major) is InChI=1S/C14H10O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,15H/i1D,2D,3D,4D,5D,6D,7D,8D,9D.

What is the InChIKey of 3-Phenanthrol-d9 (major)?

The InChIKey of 3-Phenanthrol-d9 (major) is NGPOABOEXMDQBT-LOIXRAQWSA-N.

What is the canonical SMILES of 3-Phenanthrol-d9 (major)?

The canonical SMILES of 3-Phenanthrol-d9 (major) is C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)O.

What is the isomeric SMILES of 3-Phenanthrol-d9 (major)?

The isomeric SMILES of 3-Phenanthrol-d9 (major) is [2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C2C(=C(C(=C3[2H])[2H])O)[2H])[2H])[2H])[2H])[2H].

What is the XLogP3 value of 3-Phenanthrol-d9 (major)?

The XLogP3 value of 3-Phenanthrol-d9 (major) is 4.

How many hydrogen bond donor counts does 3-Phenanthrol-d9 (major) have?

3-Phenanthrol-d9 (major) has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 3-Phenanthrol-d9 (major) have?

3-Phenanthrol-d9 (major) has 1 hydrogen bond acceptor count.

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