Name: Name:2,6,6-Trimethylcyclohexa-1,3-dien-1-ylcarbonitrile
Brand: Angene
SKU: AG0069T7
Rating: 90 (10 reviews)

2,6,6-Trimethylcyclohexa-1,3-dien-1-ylcarbonitrile

CAS No.:

72152-84-2

Catalog Number:

AG0069T7

Molecular Formula:

C10H13N

Molecular Weight:

147.2169

Catalog Number:

AG0069T7

Chemical Name:

2,6,6-Trimethylcyclohexa-1,3-dien-1-ylcarbonitrile

CAS Number:

72152-84-2

Molecular Formula:

C10H13N

Molecular Weight:

147.2169

MDL Number:

MFCD09753541

IUPAC Name:

2,6,6-trimethylcyclohexa-1,3-diene-1-carbonitrile

InChI:

InChI=1S/C10H13N/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5H,6H2,1-3H3

InChI Key:

MDBKXUUTSLSJDH-UHFFFAOYSA-N

SMILES:

N#CC1=C(C)C=CCC1(C)C

EC Number:

917-351-9

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

147.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

147.221g/mol

Monoisotopic Mass:

147.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4