Name: Name:1-Cyclohexene-1-carboxylicacid,2-(4-chlorophenyl)-4,4-dimethyl-,methylester
Brand: Angene
SKU: AG00HH52
Rating: 90 (10 reviews)

1-Cyclohexene-1-carboxylicacid,2-(4-chlorophenyl)-4,4-dimethyl-,methylester

CAS No.:

1228780-49-1

Catalog Number:

AG00HH52

Molecular Formula:

C16H19ClO2

Molecular Weight:

278.7739

Catalog Number:

AG00HH52

Chemical Name:

1-Cyclohexene-1-carboxylicacid,2-(4-chlorophenyl)-4,4-dimethyl-,methylester

CAS Number:

1228780-49-1

Molecular Formula:

C16H19ClO2

Molecular Weight:

278.7739

MDL Number:

MFCD28129723

IUPAC Name:

methyl 2-(4-chlorophenyl)-4,4-dimethylcyclohexene-1-carboxylate

InChI:

InChI=1S/C16H19ClO2/c1-16(2)9-8-13(15(18)19-3)14(10-16)11-4-6-12(17)7-5-11/h4-7H,8-10H2,1-3H3

InChI Key:

YEBTZUFCRYQJCP-UHFFFAOYSA-N

SMILES:

COC(=O)C1=C(CC(CC1)(C)C)c1ccc(cc1)Cl

Complexity:

376

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.107g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.776g/mol

Monoisotopic Mass:

278.107g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5