Structure

Vat Yellow 12

CAS
6370-75-8
Catalog Number
ACM6370758
Category
Vat Dyes
Molecular Weight
738.69924
Molecular Formula
C44H26N4O8

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Specification

Synonyms
C.I. Vat Yellow 12;N,N-bis(5-benzamido-9,10-dihydro-9,10-dioxo-1-anthryl)oxalamide;Vat Yellow 12 (C.I.);N,N'-bis[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]oxamide;Vat Yellow 12;Vat yellow 12 (C.I. 65405);Ethanediamide, N,N'-bis[5-(benzoylamino)
IUPAC Name
N,N-bis(5-benzamido-9,10-dioxoanthracen-1-yl)oxamide
Canonical SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC(=O)C(=O)NC5=CC=CC6=C5C(=O)C7=C(C6=O)C(=CC=C7)NC(=O)C8=CC=CC=C8
InChI Key
NIBQRIIYVCTBDX-UHFFFAOYSA-N
Density
1.537g/cm³
EC Number
228-887-1
Exact Mass
430.23600
H-Bond Acceptor
8
H-Bond Donor
4
What is the molecular formula of Vat Yellow 12?

The molecular formula of Vat Yellow 12 is C44H26N4O8.

When was Vat Yellow 12 created and last modified?

Vat Yellow 12 was created on 2005-08-08 and last modified on 2023-12-23.

What is the IUPAC name of Vat Yellow 12?

The IUPAC name of Vat Yellow 12 is N,N'-bis(5-benzamido-9,10-dioxoanthracen-1-yl)oxamide.

What is the InChIKey of Vat Yellow 12?

The InChIKey of Vat Yellow 12 is NIBQRIIYVCTBDX-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Vat Yellow 12 have?

Vat Yellow 12 has 4 hydrogen bond donor counts.

What is the exact mass of Vat Yellow 12?

The exact mass of Vat Yellow 12 is 738.17506380 g/mol.

How many heavy atoms does Vat Yellow 12 contain?

Vat Yellow 12 contains 56 heavy atoms.

What is the formal charge of Vat Yellow 12?

The formal charge of Vat Yellow 12 is 0.

Does Vat Yellow 12 have any defined atom stereocenters?

No, Vat Yellow 12 does not have any defined atom stereocenters.

How many rotatable bond counts does Vat Yellow 12 have?

Vat Yellow 12 has 6 rotatable bond counts.

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