Name: Name:2-amino-4H-chromene-3-carbonitrile
Brand: Angene
SKU: AG019SFR
Rating: 90 (10 reviews)

2-amino-4H-chromene-3-carbonitrile

CAS No.:

953802-74-9

Catalog Number:

AG019SFR

Molecular Formula:

C10H8N2O

Molecular Weight:

172.1833

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Product Description

Catalog Number:

AG019SFR

Chemical Name:

2-amino-4H-chromene-3-carbonitrile

CAS Number:

953802-74-9

Molecular Formula:

C10H8N2O

Molecular Weight:

172.1833

MDL Number:

MFCD18915080

IUPAC Name:

2-amino-4H-chromene-3-carbonitrile

InChI:

InChI=1S/C10H8N2O/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-4H,5,12H2

InChI Key:

HTDJFGBZDIJBSP-UHFFFAOYSA-N

SMILES:

N#CC1=C(N)Oc2c(C1)cccc2

Properties

Complexity:

287

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

172.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

172.187g/mol

Monoisotopic Mass:

172.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Structural, vibrational, electronic, NMR and reactivity analyses of 2-amino-4H-chromene-3-carbonitrile (ACC) by ab initio HF and DFT calculations.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120401